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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 baUV3oNTKm
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 53243-59-7
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 C(\C=C/(C)CCc1ccccc1)#N
SPLASH splash10-0006-9100000000-ddca6e6a299d77ce4e63
Source of Spectrum H-79-969-15
Wiley ID 1168132