| SpectraBase Spectrum ID |
2gdaNVx1a8t |
| Name |
Terephthalic acid, isohexyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.167459249 u |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-15(2)7-6-14-24-20(22)17-10-12-18(13-11-17)21(23)25-19-9-5-4-8-16(19)3/h4-5,8-13,15H,6-7,14H2,1-3H3 |
| InChIKey |
NSHPJPYQDTVBHU-UHFFFAOYSA-N |
| Molecular Weight |
340.419 g/mol |
| SMILES |
CC(C)CCCOC(C1=CC=C(C=C1)C(OC1=CC=CC=C1C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891181 |
