| SpectraBase Spectrum ID |
J7xhdalEDk7 |
| Name |
Phthalic acid, 4-chlorophenyl 2-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.065886659 u |
| Formula |
C21H15ClO4 |
| InChI |
InChI=1S/C21H15ClO4/c1-14-6-2-5-9-19(14)26-21(24)18-8-4-3-7-17(18)20(23)25-16-12-10-15(22)11-13-16/h2-13H,1H3 |
| InChIKey |
QPPBJBZIYKYWIU-UHFFFAOYSA-N |
| Molecular Weight |
366.800 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC=CC=C1C)=O)C(OC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91856 |
