| SpectraBase Spectrum ID |
KMQaTWMDjE9 |
| Name |
4-(3-Carboxyphenyl)-2-chlorobenzoic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.050236595 u |
| Formula |
C16H13ClO4 |
| InChI |
InChI=1S/C16H13ClO4/c1-20-15(18)12-5-3-4-10(8-12)11-6-7-13(14(17)9-11)16(19)21-2/h3-9H,1-2H3 |
| InChIKey |
NAYUXDLIZBOAEJ-UHFFFAOYSA-N |
| Molecular Weight |
304.729 g/mol |
| SMILES |
C1(=CC(=CC=C1)C(=O)OC)C1=CC(=C(C=C1)C(=O)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948692 |
