SpectraBase Compound ID | Dh2d8s80dzc |
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InChI | InChI=1S/C6H5BrClNO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2 |
InChIKey | HYCUENMUMRTVQV-UHFFFAOYSA-N |
Mol Weight | 222.47 g/mol |
Molecular Formula | C6H5BrClNO |
Exact Mass | 220.924304 g/mol |
SpectraBase Spectrum ID | 9C8ITxqPMIZ |
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Name | 2-Amino-4-bromo-6-chlorophenol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 220.924304484 u |
Formula | C6H5BrClNO |
InChI | InChI=1S/C6H5BrClNO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2 |
InChIKey | HYCUENMUMRTVQV-UHFFFAOYSA-N |
SMILES | C1(Br)=CC(=C(C(=C1)N)O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92418 |