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2-(4-Bromophenyl)benzoxazole
SpectraBase Compound ID 9p12vI8qYnC
InChI InChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChIKey RBVHJNZMSBQFDK-UHFFFAOYSA-N
Mol Weight 274.12 g/mol
Molecular Formula C13H8BrNO
Exact Mass 272.978927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbOvoI2SIF5
Name 2-(4-Bromophenyl)benzoxazole
Appearance Yellow needles
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Exact Mass 272.978926881 u
Formula C13H8BrNO
InChI InChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChIKey RBVHJNZMSBQFDK-UHFFFAOYSA-N
Instrument Name Agilent 5977E Diff-SST MSD-230V
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.155
Molecular Weight 274.117 g/mol
Quality 31
Reported Formula C13H8BrNO
SMILES C1=CC2=C(C=C1)OC(=N2)C1=CC=C(C=C1)Br
SPLASH splash10-00fr-0090000000-4409eeaf62532a3217b2
Source of Spectrum BJO-18-SM3-8e (DOI: 10.3762/bjoc.18.155)
Thin-Layer Chromatography 0.5 (Hexane/EtOAc, 9:1)
Wiley ID 1901245