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4-Methylbiphenyl
SpectraBase Compound ID 1dCYAGNc7wD
InChI InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey ZZLCFHIKESPLTH-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 3mOlZZ1QOQ8
Name Phenyltoluene
Source of Sample SAFC Cat.no. W318604
CAS Registry Number 644-08-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 168.093900386 u
Formula C13H12
InChI InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey ZZLCFHIKESPLTH-UHFFFAOYSA-N
Molecular Weight 168.239 g/mol
Number of Peaks 50
RI1 1497
RI2 1174
RI3 1455
RI4 1412
RI5 1466
SMILES c1(ccccc1)-c1ccc(cc1)C
SPLASH splash10-014i-3900000000-2d6b72e8145d3e65aefe
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,1'-Biphenyl, 4-methyl-
Wiley ID LM_FFNSC3_383