| SpectraBase Spectrum ID |
Do5yJWwXI9v |
| Name |
Phthalic acid, 3-methylphenyl phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.104858991 u |
| Formula |
C21H16O4 |
| InChI |
InChI=1S/C21H16O4/c1-15-8-7-11-17(14-15)25-21(23)19-13-6-5-12-18(19)20(22)24-16-9-3-2-4-10-16/h2-14H,1H3 |
| InChIKey |
QVWCCFLIXPQWEY-UHFFFAOYSA-N |
| Molecular Weight |
332.355 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859218 |
