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NNEOYCMCJMLRSD-UHFFFAOYSA-N
SpectraBase Compound ID 1Sa2r8IUbBz
InChI InChI=1S/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey NNEOYCMCJMLRSD-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 F9rkHZXuLFm
Name 1-benzyl-4-bromo-benzene
CAS Registry Number 2116-36-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H11Br
InChI InChI=1S/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey NNEOYCMCJMLRSD-UHFFFAOYSA-N
Molecular Weight 247.135 g/mol
SMILES c1cc(Cc2ccc(cc2)Br)ccc1
SPLASH splash10-014j-0960000000-6a6764789e7e6e501db5
Source of Spectrum O-28-1073-0
Synonyms 1-bromanyl-4-(phenylmethyl)benzene 1-bromo-4-(phenylmethyl)benzene 4-Bromodiphenylmethane
Wiley ID 1248765