| SpectraBase Spectrum ID |
BqfteVuRinJ |
| Name |
Isophthalic acid, butyl 2-ethylphenyl 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/c1-3-5-13-23-19(21)16-10-8-11-17(14-16)20(22)24-18-12-7-6-9-15(18)4-2/h6-12,14H,3-5,13H2,1-2H3 |
| InChIKey |
BZPHFPOOHQMAFR-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OCCCC)C(OC1=C(CC)C=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912794 |
