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(4Z)-5-(3-Methylphenyl)-4-pentenenitrile
SpectraBase Compound ID JPNM7X5wK1o
InChI InChI=1S/C12H13N/c1-11-6-5-8-12(10-11)7-3-2-4-9-13/h3,5-8,10H,2,4H2,1H3/b7-3-
InChIKey SQUWYCWQNQNGHW-CLTKARDFSA-N
Mol Weight 171.24 g/mol
Molecular Formula C12H13N
Exact Mass 171.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUXH2vr1mEt
Name (4Z)-5-(3-Methylphenyl)-4-pentenenitrile
Alternate Name(s) (Z)-5-(m-tolyl)pent-4-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c1-11-6-5-8-12(10-11)7-3-2-4-9-13/h3,5-8,10H,2,4H2,1H3/b7-3-
InChIKey SQUWYCWQNQNGHW-CLTKARDFSA-N
Literature Reference DOI 10.1021/ol203033k
Molecular Weight 171.243 g/mol
SMILES c1cc(\C=C/CCC#N)cc(c1)C
SPLASH splash10-001i-1900000000-022086259ba289bda472
Source of Spectrum A1-14-256/SMS29-5g
Wiley ID 1749980