| SpectraBase Spectrum ID |
KyHDpzD9dpP |
| Name |
Phthalic 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/c1-3-9-15-10-5-8-13-18(15)24-20(22)17-12-7-6-11-16(17)19(21)23-14-4-2/h5-8,10-13H,3-4,9,14H2,1-2H3 |
| InChIKey |
YAYZBIVHXTZOQO-UHFFFAOYSA-N |
| Molecular Weight |
326.392 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCC)=O)C(OC=1C(CCC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833858 |
