| SpectraBase Spectrum ID |
7TRlXwMPzo2 |
| Name |
m-Anisic acid, 3,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.000699579 u |
| Formula |
C14H10Cl2O3 |
| InChI |
InChI=1S/C14H10Cl2O3/c1-18-10-4-2-3-9(7-10)14(17)19-11-5-6-12(15)13(16)8-11/h2-8H,1H3 |
| InChIKey |
NKZQQSMRSOXSET-UHFFFAOYSA-N |
| Molecular Weight |
297.137 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(OC1=CC(=C(C=C1)Cl)Cl)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879875 |
