| SpectraBase Spectrum ID |
LiilWq4TLcs |
| Name |
cis- and Trans-6-propenyl-1,4-dithiaspiro(4.12)heptadecan-6-ols |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.189457997 u |
| Formula |
C18H32OS2 |
| InChI |
InChI=1S/C18H32OS2/c1-2-12-17(19)13-10-8-6-4-3-5-7-9-11-14-18(17)20-15-16-21-18/h2,12,19H,3-11,13-16H2,1H3/b12-2+/t17-/m0/s1 |
| InChIKey |
IGZYHSNBMHISHF-FCORYELWSA-N |
| Molecular Weight |
328.573 g/mol |
| SMILES |
C12([C@@](\C=C\C)(O)CCCCCCCCCCC2)SCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850766 |
