| SpectraBase Spectrum ID |
Ban4sIG5n85 |
| Name |
12,21-Dithiatriacontane-1,32-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.419123582 u |
| Formula |
C30H62O2S2 |
| InChI |
InChI=1S/C30H62O2S2/c31-25-19-13-7-3-1-5-9-15-21-27-33-29-23-17-11-12-18-24-30-34-28-22-16-10-6-2-4-8-14-20-26-32/h31-32H,1-30H2 |
| InChIKey |
ZHBDTRIBTBSVBP-UHFFFAOYSA-N |
| Molecular Weight |
518.944 g/mol |
| SMILES |
C(SCCCCCCCCSCCCCCCCCCCCO)CCCCCCCCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931479 |
