| SpectraBase Spectrum ID |
90lLPsVHfMO |
| Name |
5-Chloro-2-methoxycarbanilic 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 |
402.937761647 u |
| Formula |
C15H12BrCl2NO3 |
| InChI |
InChI=1S/C15H12BrCl2NO3/c1-8-5-10(18)6-11(16)14(8)22-15(20)19-12-7-9(17)3-4-13(12)21-2/h3-7H,1-2H3,(H,19,20) |
| InChIKey |
ZISUXVLRSQMKBK-UHFFFAOYSA-N |
| Molecular Weight |
405.075 g/mol |
| SMILES |
N(C1=CC(=CC=C1OC)Cl)C(OC=1C(=CC(=CC1Br)Cl)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.836017 |
