| SpectraBase Spectrum ID |
Agva1zhNNVy |
| Name |
Terephthalic acid, ethyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.104858991 u |
| Formula |
C17H16O4 |
| InChI |
InChI=1S/C17H16O4/c1-3-20-16(18)13-8-10-14(11-9-13)17(19)21-15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3 |
| InChIKey |
BQPNYNBHIOWHBR-UHFFFAOYSA-N |
| SMILES |
C1=CC(=CC=C1C(OCC)=O)C(OC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887838 |
