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2-Amino-4-bromo-N-(quinolin-8-yl)benzamide
SpectraBase Compound ID FcLXGTc9XmW
InChI InChI=1S/C16H12BrN3O/c17-11-6-7-12(13(18)9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,18H2,(H,20,21)
InChIKey WMTZYRGKYLHZAS-UHFFFAOYSA-N
Mol Weight 342.2 g/mol
Molecular Formula C16H12BrN3O
Exact Mass 341.016375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vrG90jXtcE
Name 2-Amino-4-bromo-N-(quinolin-8-yl)benzamide
Appearance Pale yellow solid
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Exact Mass 341.016375017 u
Formula C16H12BrN3O
InChI InChI=1S/C16H12BrN3O/c17-11-6-7-12(13(18)9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,18H2,(H,20,21)
InChIKey WMTZYRGKYLHZAS-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Quality 224
SMILES NC1=C(C(=O)NC2=CC=CC3=C2N=CC=C3)C=CC(=C1)Br
SPLASH splash10-0006-2924000000-11a49914d4d936c7cd81
Source of Spectrum ACI-56-SM13-6g (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.34 (pentane/EtOAc, 8:1
Wiley ID 1896229