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(4Z)-5-(2-Methylphenyl)-4-pentenenitrile
SpectraBase Compound ID 49NWb7uf4B4
InChI InChI=1S/C12H13N/c1-11-7-4-5-9-12(11)8-3-2-6-10-13/h3-5,7-9H,2,6H2,1H3/b8-3-
InChIKey BERZVKCHGLASSF-BAQGIRSFSA-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 sPbufSke3G
Name (4Z)-5-(2-Methylphenyl)-4-pentenenitrile
Alternate Name(s) (Z)-5-(o-tolyl)pent-4-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c1-11-7-4-5-9-12(11)8-3-2-6-10-13/h3-5,7-9H,2,6H2,1H3/b8-3-
InChIKey BERZVKCHGLASSF-BAQGIRSFSA-N
Literature Reference DOI 10.1021/ol203033k
Molecular Weight 171.243 g/mol
SMILES c1ccc(C)c(c1)\C=C/CCC#N
SPLASH splash10-00lr-0900000000-16f2cd04a60882763dba
Source of Spectrum A1-14-256/SMS27-5f
Wiley ID 1749979