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3-Methylbiphenyl

View entire compound with spectra: 3 NMR, 7 FTIR, 1 Raman, 1 UV-Vis, and 14 MS (GC)

3-Methylbiphenyl
SpectraBase Compound ID GBsM3TVygTH
InChI InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey NPDIDUXTRAITDE-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C13H12
Exact Mass 168.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aEAAzpcUVT
Name 1,1'-Biphenyl, 3-methyl-
Alternate Name(s) 3-Methylbiphenyl 1-methyl-3-phenylbenzene (3-Methylphenyl)benzene 1-methyl-3-phenyl-benzene 3-Methyl-1,1'-biphenyl 3-methyl-biphenyl 3-Methyldiphenyl Biphenyl, 3-methyl- m-Phenyltoluene EINECS 211-404-3
CAS Registry Number 643-93-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H12
InChI InChI=1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey NPDIDUXTRAITDE-UHFFFAOYSA-N
Molecular Weight 168.239 g/mol
SMILES c1(-c2ccccc2)cc(ccc1)C
SPLASH splash10-014i-0900000000-5916b62c853369ca593b
Source of Spectrum J-64-3269-0
Wiley ID 1529982