| SpectraBase Spectrum ID |
D6EO1Qgq96l |
| Name |
Butyric acid, 4,4'-thiodi-, didodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.436881646 u |
| Formula |
C32H62O4S |
| InChI |
InChI=1S/C32H62O4S/c1-3-5-7-9-11-13-15-17-19-21-27-35-31(33)25-23-29-37-30-24-26-32(34)36-28-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3 |
| InChIKey |
PPRNRQYITYWTIS-UHFFFAOYSA-N |
| Molecular Weight |
542.904 g/mol |
| SMILES |
C(C(OCCCCCCCCCCCC)=O)CCSCCCC(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831267 |
