| SpectraBase Spectrum ID |
9KHHdDyMo2T |
| Name |
Phthalic acid, 3-phenylpropyl propyl 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/c1-2-14-23-19(21)17-12-6-7-13-18(17)20(22)24-15-8-11-16-9-4-3-5-10-16/h3-7,9-10,12-13H,2,8,11,14-15H2,1H3 |
| InChIKey |
KCQLXNDYEIGAMT-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
CCCOC(C1=CC=CC=C1C(OCCCC1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827432 |
