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3-(4-Methylphenyl)pentanedinitrile
SpectraBase Compound ID CGo9GyI3RlO
InChI InChI=1S/C12H12N2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,12H,6-7H2,1H3
InChIKey BZPMWJSMQWCDBM-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C12H12N2
Exact Mass 184.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh56tCUq56Z
Name 3-(4-Methylphenyl)pentanedinitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N2
InChI InChI=1S/C12H12N2/c1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h2-5,12H,6-7H2,1H3
InChIKey BZPMWJSMQWCDBM-UHFFFAOYSA-N
Molecular Weight 184.242 g/mol
SMILES C(CC(CC#N)c1ccc(cc1)C)#N
SPLASH splash10-0006-0900000000-a8c484e69473cdaee7b2
Source of Spectrum QC-12-3371-1
Synonyms 3-(p-tolyl)glutaronitrile 3-(p-tolyl)pentanedinitrile
Wiley ID 1634960