| SpectraBase Spectrum ID |
aNFIom8VoY |
| Name |
Phthalic acid, 2-phenylethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.136159120 u |
| Formula |
C19H20O4 |
| InChI |
InChI=1S/C19H20O4/c1-2-13-22-18(20)16-10-6-7-11-17(16)19(21)23-14-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3 |
| InChIKey |
AQILSUGORJFNIP-UHFFFAOYSA-N |
| Molecular Weight |
312.365 g/mol |
| SMILES |
C(C1=C(C(OCCC)=O)C=CC=C1)(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923277 |
