| SpectraBase Spectrum ID |
CpTnnWjcD3k |
| Name |
Phthalic acid, 4-formylphenyl 3-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.099773610 u |
| Formula |
C22H16O5 |
| InChI |
InChI=1S/C22H16O5/c1-15-5-4-6-18(13-15)27-22(25)20-8-3-2-7-19(20)21(24)26-17-11-9-16(14-23)10-12-17/h2-14H,1H3 |
| InChIKey |
YZQBFTFWSPBYIS-UHFFFAOYSA-N |
| Molecular Weight |
360.365 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC1=CC=C(C=C1)C=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897464 |
