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3-Bromo-4-methylbiphenyl
SpectraBase Compound ID oPWZ9UO4So
InChI InChI=1S/C13H11Br/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey BVTFEWBUBJTNHZ-UHFFFAOYSA-N
Mol Weight 247.13 g/mol
Molecular Formula C13H11Br
Exact Mass 246.004413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wWxyzKeC8
Name 3-Bromo-4-methylbiphenyl
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.004413354 u
Formula C13H11Br
InChI InChI=1S/C13H11Br/c1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey BVTFEWBUBJTNHZ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo3020819
Molecular Weight 247.135 g/mol
Quality 921
SMILES C=1(Br)C=C(C=CC1C)C1=CC=CC=C1
SPLASH splash10-00kb-1970000000-1a6d88c8265f47f67a7c
Source of Spectrum JOC-78-SM49-5 (DOI: 10.1021/jo3020819)
Wiley ID 1912358