| SpectraBase Spectrum ID |
DZpIP8eWY1Z |
| Name |
Terephthalic acid, hexyl 4-methylthiophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.139530423 u |
| Formula |
C21H24O4S |
| InChI |
InChI=1S/C21H24O4S/c1-3-4-5-6-15-24-20(22)16-7-9-17(10-8-16)21(23)25-18-11-13-19(26-2)14-12-18/h7-14H,3-6,15H2,1-2H3 |
| InChIKey |
MMQOZUJKTRORQA-UHFFFAOYSA-N |
| Molecular Weight |
372.479 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCCCC)=O)C(=O)OC1=CC=C(SC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81044 |
