| SpectraBase Spectrum ID |
53vH0yffNRN |
| Name |
Isophthalic acid, di(2-methylphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.120509056 u |
| Formula |
C22H18O4 |
| InChI |
InChI=1S/C22H18O4/c1-15-8-3-5-12-19(15)25-21(23)17-10-7-11-18(14-17)22(24)26-20-13-6-4-9-16(20)2/h3-14H,1-2H3 |
| InChIKey |
LIBNNSNDAMJTFG-UHFFFAOYSA-N |
| Molecular Weight |
346.382 g/mol |
| SMILES |
CC1=CC=CC=C1OC(C=1C=C(C(OC2=CC=CC=C2C)=O)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910531 |
