| SpectraBase Spectrum ID |
7eFQii3ZCdx |
| Name |
4-Amino-3-bromo-5-iodo-benzoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.886136532 u |
| Formula |
C9H9BrINO2 |
| InChI |
InChI=1S/C9H9BrINO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3 |
| InChIKey |
AOHVATDJDHOIRV-UHFFFAOYSA-N |
| Molecular Weight |
369.984 g/mol |
| SMILES |
C(OCC)(=O)C1=CC(Br)=C(C(=C1)I)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913309 |
