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2-benzyl-3-(2-cyclohexen-1-yl)-3-oxopropanenitrile
SpectraBase Compound ID BcxYd6rjoK5
InChI InChI=1S/C16H17NO/c17-12-15(11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1,3-5,7-9,14-15H,2,6,10-11H2
InChIKey VNLKMJHIVKUXHS-UHFFFAOYSA-N
Mol Weight 239.32 g/mol
Molecular Formula C16H17NO
Exact Mass 239.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jvJVC5Rled
Name 2-benzyl-3-(2-cyclohexen-1-yl)-3-oxopropanenitrile
Appearance Yellow solid
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Exact Mass 239.131014170 u
Formula C16H17NO
InChI InChI=1S/C16H17NO/c17-12-15(11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1,3-5,7-9,14-15H,2,6,10-11H2
InChIKey VNLKMJHIVKUXHS-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201605445
Molecular Weight 239.318 g/mol
Quality 114
Reported Formula C16H17NO
SMILES C1(=CC=CC=C1)CC(C#N)C(=O)C1C=CCCC1
SPLASH splash10-0a59-9810000000-7acd21b031922412b678
Source of Spectrum ACI-55-SM20-2q (DOI: 10.1002/anie.201605445)
Wiley ID 1899117