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3-Bromoaniline
SpectraBase Compound ID DDEJfKp28sc
InChI InChI=1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey DHYHYLGCQVVLOQ-UHFFFAOYSA-N
Mol Weight 172.03 g/mol
Molecular Formula C6H6BrN
Exact Mass 170.968362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L013zJTADW2
Name Benzenamine, 3-bromo-
CAS Registry Number 591-19-5
Comments Less than 3 mono-isotopic peaks
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Formula C6H6BrN
InChI InChI=1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey DHYHYLGCQVVLOQ-UHFFFAOYSA-N
Molecular Weight 172.025 g/mol
SMILES Nc1cc(Br)ccc1
SPLASH splash10-00di-0900000000-a735fecfbcd8e7e9e980
Source of Spectrum F-67-1975-2b
Synonyms 3-Bromoaniline (3-Bromophenyl)amine 3-Bromanylaniline 3-BrC6H4NH2 3-Bromobenzenamine Aniline, 3-bromo- Aniline, m-bromo- m-Aminobromobenzene m-Bromoaniline BRN 0742028 EINECS 209-704-4 NSC 10298
Wiley ID 1685990