| SpectraBase Spectrum ID |
BUTGl6ThH00 |
| Name |
Terephthalic acid, isobutyl 4-methylthiophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.108230294 u |
| Formula |
C19H20O4S |
| InChI |
InChI=1S/C19H20O4S/c1-13(2)12-22-18(20)14-4-6-15(7-5-14)19(21)23-16-8-10-17(24-3)11-9-16/h4-11,13H,12H2,1-3H3 |
| InChIKey |
JTFYCFZJDIWATP-UHFFFAOYSA-N |
| Molecular Weight |
344.425 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OC1=CC=C(SC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812277 |
