| SpectraBase Spectrum ID |
4oHvw0sJcKf |
| Name |
Isophthalic acid, propyl 2-propylphenyl 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/c1-3-8-15-9-5-6-12-18(15)24-20(22)17-11-7-10-16(14-17)19(21)23-13-4-2/h5-7,9-12,14H,3-4,8,13H2,1-2H3 |
| InChIKey |
MXECTTQBVOVVNF-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(=O)OCCC)C(OC=1C(CCC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851347 |
