| SpectraBase Spectrum ID |
L4kq1y5IvxA |
| Name |
m-Methylcarbanilic acid, 6-bromo-4-chloro-o-tolyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.981819361 u |
| Formula |
C15H13BrClNO2 |
| InChI |
InChI=1S/C15H13BrClNO2/c1-9-4-3-5-12(6-9)18-15(19)20-14-10(2)7-11(17)8-13(14)16/h3-8H,1-2H3,(H,18,19) |
| InChIKey |
UQCRASKZOWWKGT-UHFFFAOYSA-N |
| Molecular Weight |
354.631 g/mol |
| SMILES |
N(C1=CC=CC(=C1)C)C(OC=1C(=CC(=CC1Br)Cl)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.915688 |
