| SpectraBase Spectrum ID |
iRpP2N1Uxq |
| Name |
(2S)-2-[(R)-1-(1,3-Dithian-2-yl)-1-hydroxyethyl]-N-[(E)-2-iodo-4-methyl-2-octenyl]pyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.112652066 u |
| Formula |
C19H34INOS2 |
| InChI |
InChI=1S/C19H34INOS2/c1-4-5-8-15(2)13-16(20)14-21-10-6-9-17(21)19(3,22)18-23-11-7-12-24-18/h13,15,17-18,22H,4-12,14H2,1-3H3/b16-13+/t15?,17-,19+/m0/s1 |
| InChIKey |
VULZYBXSYODTLE-PAFZPQPPSA-N |
| Molecular Weight |
483.511 g/mol |
| SMILES |
[C@]([C@]1(N(C\C(=C/C(CCCC)C)I)CCC1)[H])(C1SCCCS1)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941669 |
![(2S)-2-[(R)-1-(1,3-Dithian-2-yl)-1-hydroxyethyl]-N-[(E)-2-iodo-4-methyl-2-octenyl]pyrrolidine](/api/spectrum/iRpP2N1Uxq/structure.png?h=300&w=458 "(2S)-2-[(R)-1-(1,3-Dithian-2-yl)-1-hydroxyethyl]-N-[(E)-2-iodo-4-methyl-2-octenyl]pyrrolidine")
