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2-(4-isobutylphenyl)propanenitrile
SpectraBase Compound ID GBDzAuL0qqL
InChI InChI=1S/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3
InChIKey PKQKHWNHCKNYSW-UHFFFAOYSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tdcSc4hSUQ
Name 2-(4-isobutylphenyl)propanenitrile
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N
InChI InChI=1S/C13H17N/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11H,8H2,1-3H3
InChIKey PKQKHWNHCKNYSW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 187.286 g/mol
SMILES C(C(C)C)c1ccc(cc1)C(C#N)C
SPLASH splash10-014l-0900000000-5264303b2191dcf4c90c
Source of Spectrum GB2534897A
Wiley ID 1852977