| SpectraBase Spectrum ID |
CJEQzkZlqP2 |
| Name |
2-Amino-5-bromo-4-chlorobenzoic acid, N-acetyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.945433851 u |
| Formula |
C10H9BrClNO3 |
| InChI |
InChI=1S/C10H9BrClNO3/c1-5(14)13-9-4-8(12)7(11)3-6(9)10(15)16-2/h3-4H,1-2H3,(H,13,14) |
| InChIKey |
ZCNOGNUASMGUEZ-UHFFFAOYSA-N |
| Molecular Weight |
306.543 g/mol |
| SMILES |
C1(Br)=C(C=C(C(=C1)C(=O)OC)NC(C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969696 |
