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4-(2-Methyl-3-oxocyclohex-1-enyl)benzonitrile
SpectraBase Compound ID 7PsKKJrPT6C
InChI InChI=1S/C14H13NO/c1-10-13(3-2-4-14(10)16)12-7-5-11(9-15)6-8-12/h5-8H,2-4H2,1H3
InChIKey HAIFTNLVHXTPMY-UHFFFAOYSA-N
Mol Weight 211.26 g/mol
Molecular Formula C14H13NO
Exact Mass 211.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28xBD5lhiq
Name 4-(2-Methyl-3-oxocyclohex-1-enyl)benzonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.099714042 u
Formula C14H13NO
InChI InChI=1S/C14H13NO/c1-10-13(3-2-4-14(10)16)12-7-5-11(9-15)6-8-12/h5-8H,2-4H2,1H3
InChIKey HAIFTNLVHXTPMY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500943
Molecular Weight 211.264 g/mol
Quality 166
Reported Formula C14H13NO
SMILES CC1=C(CCCC1=O)C1=CC=C(C=C1)C#N
SPLASH splash10-03di-0980000000-12295cc0345fbb7f00db
Source of Spectrum QE-21-SM5-4d (DOI: 10.1002/chem.201500943)
Wiley ID 1906457