| SpectraBase Spectrum ID |
6v5jGiaCwve |
| Name |
p-Tolyl 2-amino-5-chlorobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.055656328 u |
| Formula |
C14H12ClNO2 |
| InChI |
InChI=1S/C14H12ClNO2/c1-9-2-5-11(6-3-9)18-14(17)12-8-10(15)4-7-13(12)16/h2-8H,16H2,1H3 |
| InChIKey |
XGQCMUJZYMHVDS-UHFFFAOYSA-N |
| Molecular Weight |
261.708 g/mol |
| SMILES |
C=1(C=C(C(N)=CC1)C(OC1=CC=C(C=C1)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889701 |
