| SpectraBase Spectrum ID |
LZrnsPs6b5Y |
| Name |
Isophthalic 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)13-8-6-9-14(11-13)17(19)21-15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3 |
| InChIKey |
TUNXCWLFCLBHKT-UHFFFAOYSA-N |
| SMILES |
C(C1=CC(=CC=C1)C(OCC)=O)(OC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885769 |
