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Citronitrile, mixture of cis and trans
SpectraBase Compound ID Ht6SznV6qvB
InChI InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+
InChIKey QELCXXZZKSRBET-PKNBQFBNSA-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 4oGz89Ous55
Name (2E)-3-Methyl-5-phenyl-2-pentenenitrile
Alternate Name(s) (Z)-3-Methyl-5-phenylpent-2-enenitrile (E)-3-Methyl-5-phenylpent-2-enenitrile (E)-3-methyl-5-phenyl-2-pentenenitrile (E)-3-methyl-5-phenyl-pent-2-enenitrile 2-Pentenenitrile, 3-methyl-5-phenyl-
CAS Registry Number 93893-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+
InChIKey QELCXXZZKSRBET-PKNBQFBNSA-N
Molecular Weight 171.243 g/mol
SMILES c1cccc(c1)CC\C(=C\C#N)C
SPLASH splash10-0006-9100000000-0ea4965d05d5d0051120
Source of Spectrum NP-2-5326-0
Wiley ID 1101201