RI00022451 | Calcium | Jsmol[Ca++] | Underivatized | 39.9615 | Standard non polar | 273.0861 |
RI00022452 | Calcium | Jsmol[Ca++] | Underivatized | 39.9615 | Semi standard non polar | 64.2528 |
RI00022453 | 3-Methylindole | JsmolCC1=CNC2=C1C=CC=C2 | Underivatized | 131.0735 | Standard polar | 2474.6582 |
RI00022454 | 3-Methylindole,1TMS,isomer#1 | JsmolCC1=CN([Si](C)(C)C)C2=CC=CC=C12 | TMS | 203.113 | Standard non polar | 1508.4679 |
RI00022455 | 3-Methylindole,1TBDMS,isomer#1 | JsmolCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12 | TBDMS | 245.16 | Standard non polar | 1699.9603 |
RI00022456 | 3-Methylindole | JsmolCC1=CNC2=C1C=CC=C2 | Underivatized | 131.0735 | Standard non polar | 1372.8567 |
RI00022457 | 3-Methylindole | JsmolCC1=CNC2=C1C=CC=C2 | Underivatized | 131.0735 | Semi standard non polar | 1386.6499 |
RI00022458 | 3-Methylindole,1TMS,isomer#1 | JsmolCC1=CN([Si](C)(C)C)C2=CC=CC=C12 | TMS | 203.113 | Semi standard non polar | 1599.6993 |
RI00022459 | 3-Methylindole,1TBDMS,isomer#1 | JsmolCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12 | TBDMS | 245.16 | Semi standard non polar | 1831.1713 |
RI00022460 | 3-Methylindole,1TMS,isomer#1 | JsmolCC1=CN([Si](C)(C)C)C2=CC=CC=C12 | TMS | 203.113 | Standard polar | 1695.402 |
RI00022461 | 3-Methylindole,1TBDMS,isomer#1 | JsmolCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12 | TBDMS | 245.16 | Standard polar | 1843.4154 |
RI00022462 | Nutriacholic acid,1TMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 462.3165 | Semi standard non polar | 3393.0322 |
RI00022463 | Nutriacholic acid,1TMS,isomer#2 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 462.3165 | Semi standard non polar | 3436.0884 |
RI00022464 | Nutriacholic acid,1TMS,isomer#3 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2C3=C(O[Si](C)(C)C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 462.3165 | Semi standard non polar | 3369.6682 |
RI00022465 | Nutriacholic acid,1TMS,isomer#4 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 462.3165 | Semi standard non polar | 3317.1826 |
RI00022466 | Nutriacholic acid,2TMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 534.3561 | Semi standard non polar | 3365.148 |
RI00022467 | Nutriacholic acid,2TMS,isomer#2 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2C3=C(O[Si](C)(C)C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 534.3561 | Semi standard non polar | 3317.643 |
RI00022468 | Nutriacholic acid,2TMS,isomer#3 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 534.3561 | Semi standard non polar | 3231.6587 |
RI00022469 | Nutriacholic acid,2TMS,isomer#4 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2C3=C(O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 534.3561 | Semi standard non polar | 3349.2441 |
RI00022470 | Nutriacholic acid,2TMS,isomer#5 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C)=C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TMS | 534.3561 | Semi standard non polar | 3262.1292 |
RI00022471 | Nutriacholic acid,1TBDMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 504.3635 | Semi standard non polar | 3648.975 |
RI00022472 | Nutriacholic acid,1TBDMS,isomer#2 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 504.3635 | Semi standard non polar | 3663.8699 |
RI00022473 | Nutriacholic acid,1TBDMS,isomer#3 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2C3=C(O[Si](C)(C)C(C)(C)C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 504.3635 | Semi standard non polar | 3593.1165 |
RI00022474 | Nutriacholic acid,1TBDMS,isomer#4 | JsmolC[C@@H](CCC(=O)O)C1CC[C@H]2[C@@H]3C(O[Si](C)(C)C(C)(C)C)=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 504.3635 | Semi standard non polar | 3527.0225 |
RI00022475 | Nutriacholic acid,2TBDMS,isomer#1 | JsmolC[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 618.45 | Semi standard non polar | 3865.1355 |