| SpectraBase Spectrum ID |
GqKcuCKwAVB |
| Name |
Phthalic acid, 4-methoxybenzyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.099773610 u |
| Formula |
C17H16O5 |
| InChI |
InChI=1S/C17H16O5/c1-20-13-9-7-12(8-10-13)11-22-17(19)15-6-4-3-5-14(15)16(18)21-2/h3-10H,11H2,1-2H3 |
| InChIKey |
WTVGJZFBUXXWIL-UHFFFAOYSA-N |
| SMILES |
C1(=C(C=CC=C1)C(OCC1=CC=C(OC)C=C1)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95033 |
