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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 Hlffi81jtGI
Name 3-methyl-biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.093900386 u
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
Instrument Name Agilent 7820 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510081
Molecular Weight 168.239 g/mol
Quality 797
SMILES C1=CC=C(C=C1)C1=CC(=CC=C1)C
SPLASH splash10-014i-1900000000-c9600c4fb8f362dcbc41
Source of Spectrum ACI-55-SM22-3i (DOI: 10.1002/anie.201510081)
Wiley ID 1895326