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(E)-5-Nitro-3-(cyclohexylmethylidene)heptane-2-one
SpectraBase Compound ID IJ0HTu7E5DW
InChI InChI=1S/C14H23NO3/c1-3-14(15(17)18)10-13(11(2)16)9-12-7-5-4-6-8-12/h9,12,14H,3-8,10H2,1-2H3/b13-9+
InChIKey SLIVBJHBCDTHKE-UKTHLTGXSA-N
Mol Weight 253.34 g/mol
Molecular Formula C14H23NO3
Exact Mass 253.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LtHiSfyRXi
Name (E)-5-Nitro-3-(cyclohexylmethylidene)heptane-2-one
Alternate Name(s) (3E)-4-cyclohexyl-3-(2-nitrobutyl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NO3
InChI InChI=1S/C14H23NO3/c1-3-14(15(17)18)10-13(11(2)16)9-12-7-5-4-6-8-12/h9,12,14H,3-8,10H2,1-2H3/b13-9+
InChIKey SLIVBJHBCDTHKE-UKTHLTGXSA-N
Molecular Weight 253.342 g/mol
SMILES C(N(=O)=O)(C\C(=C/C1CCCCC1)C(=O)C)CC
SPLASH splash10-0006-9200000000-81438c1ed4d806d59ae7
Source of Spectrum SO-0-297-2
Wiley ID 877321