| SpectraBase Spectrum ID |
CQoZdnQJ4PB |
| Name |
Terephthalic acid, ethyl 4-methylthiophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.076930165 u |
| Formula |
C17H16O4S |
| InChI |
InChI=1S/C17H16O4S/c1-3-20-16(18)12-4-6-13(7-5-12)17(19)21-14-8-10-15(22-2)11-9-14/h4-11H,3H2,1-2H3 |
| InChIKey |
KGFOKTKZWMZWCM-UHFFFAOYSA-N |
| Molecular Weight |
316.371 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC)=O)C(=O)OC1=CC=C(SC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884287 |
