| SpectraBase Spectrum ID |
LD23FBBYuT0 |
| Name |
Sebacic acid, ethyl 4-methylthiobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.170830552 u |
| Formula |
C19H28O4S |
| InChI |
InChI=1S/C19H28O4S/c1-3-22-18(20)10-8-6-4-5-7-9-11-19(21)23-16-12-14-17(24-2)15-13-16/h12-15H,3-11H2,1-2H3 |
| InChIKey |
ZCBBYXJGTFTUNO-UHFFFAOYSA-N |
| Molecular Weight |
352.489 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OC1=CC=C(SC)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958097 |
