| SpectraBase Spectrum ID |
AEueKiU7HVK |
| Name |
1,5,9,13-Tetrathiacyclohexadecane-3,11-diol, mixture of cis and trans |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.065914707 u |
| Formula |
C12H24O2S4 |
| InChI |
InChI=1S/C12H24O2S4/c13-11-7-15-3-1-4-16-8-12(14)10-18-6-2-5-17-9-11/h11-14H,1-10H2 |
| InChIKey |
UKLHHIPXESCOQU-UHFFFAOYSA-N |
| Molecular Weight |
328.562 g/mol |
| SMILES |
C1SCCCSCC(CSCCCSCC1O)O |
| Spectrum/Structure Validation Score (Raman) |
0.935867 |
