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1-Phenylethylbromo-.alpha.,.beta.-13C2
SpectraBase Compound ID 4Z2zQDL9yfK
InChI InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/i1+1,7+1
InChIKey CRRUGYDDEMGVDY-SPBYTNOZSA-N
Mol Weight 187.05 g/mol
Molecular Formula C613C2H9Br
Exact Mass 185.995473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaGy9ZTZjfE
Name 1-Phenylethylbromo-.alpha.,.beta.-13C2
Comments Less than 3 mono-isotopic peaks; Original formula: C6[13C]2H9Br
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Formula C8H9Br
InChI InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/i1+1,7+1
InChIKey CRRUGYDDEMGVDY-SPBYTNOZSA-N
Molecular Weight 187.049 g/mol
SMILES [13CH](c1ccccc1)([13CH3])Br
SPLASH splash10-004i-9000000000-7120a79406d01243018c
Source of Spectrum V3-41-1-0
Wiley ID 1180158