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3-Bromoaniline

View entire compound with spectra: 16 NMR, 7 FTIR, 1 Raman, 8 MS (GC), and 2 Near IR

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 2fw9rfBSL92
Name 3-Bromoaniline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.968362197 u
Formula C6H6BrN
InChI InChI=1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey DHYHYLGCQVVLOQ-UHFFFAOYSA-N
Instrument Name Bruker 450GC-320MS
Ionization Type EI
Literature Reference DOI 10.1002/advs.201802132
Quality 83
SMILES NC=1C=C(C=CC1)Br
SPLASH splash10-00xu-9500000000-b8c2ba913c2a12062076
Source of Spectrum ADS-6-SM10-Table 2, entry 6 (DOI: 10.1002/advs.201802132)
Wiley ID 1904429