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(E)-5-Nitro-3-[(cyclohexyl)methylidene]hexane-2-one
SpectraBase Compound ID 3PIDBbNTCFL
InChI InChI=1S/C13H21NO3/c1-10(14(16)17)8-13(11(2)15)9-12-6-4-3-5-7-12/h9-10,12H,3-8H2,1-2H3/b13-9+
InChIKey MWIGZDAHNBFWMX-UKTHLTGXSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWwNqR2BUoB
Name (E)-5-Nitro-3-[(cyclohexyl)methylidene]hexane-2-one
Alternate Name(s) (3E)-4-cyclohexyl-3-(2-nitropropyl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-10(14(16)17)8-13(11(2)15)9-12-6-4-3-5-7-12/h9-10,12H,3-8H2,1-2H3/b13-9+
InChIKey MWIGZDAHNBFWMX-UKTHLTGXSA-N
Molecular Weight 239.315 g/mol
SMILES C(N(=O)=O)(C\C(=C/C1CCCCC1)C(=O)C)C
SPLASH splash10-0006-9300000000-babb6687f88c05feaab9
Source of Spectrum SO-0-297-2
Wiley ID 877324