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(+)-3-(3-Isopropylphenyl)butyronitrile

View entire compound with spectra: 1 MS (GC)

(+)-3-(3-Isopropylphenyl)butyronitrile
SpectraBase Compound ID BGKXFQuSLou
InChI InChI=1S/C13H17N/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,9-11H,7H2,1-3H3
InChIKey YTDJXRUFJQWHQM-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 78cOk2HBbin
Name (+)-3-(3-Isopropylphenyl)butyronitrile
Alternate Name(s) 3-(3-Isopropylphenyl)butanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N
InChI InChI=1S/C13H17N/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,9-11H,7H2,1-3H3
InChIKey YTDJXRUFJQWHQM-UHFFFAOYSA-N
Molecular Weight 187.286 g/mol
SMILES C(#N)CC(c1cc(C(C)C)ccc1)C
SPLASH splash10-000t-0900000000-212c5f49c8ce475a2b2c
Source of Spectrum KD-13-902-8
Wiley ID 1635259