| SpectraBase Spectrum ID |
Gh8QCnC5Kh3 |
| Name |
Isophthalic acid, isobutyl phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.151809184 u |
| Formula |
C20H22O4 |
| InChI |
InChI=1S/C20H22O4/c1-15(2)14-24-20(22)18-10-6-9-17(13-18)19(21)23-12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3 |
| InChIKey |
WFAMPQKQBRXWEV-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C(C1=CC(=CC=C1)C(OCCC1=CC=CC=C1)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89314 |
