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5-Isopropenyl-2-methyl-3-[(methoxycarbonyl)nitromethyl]cyclohexanone
SpectraBase Compound ID DxJ34CJtJcs
InChI InChI=1S/C13H19NO5/c1-7(2)9-5-10(8(3)11(15)6-9)12(14(17)18)13(16)19-4/h8-10,12H,1,5-6H2,2-4H3
InChIKey CRYNTSHEGSEGNL-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfPvAivY0rP
Name 5-Isopropenyl-2-methyl-3-[(methoxycarbonyl)nitromethyl]cyclohexanone
Alternate Name(s) Methyl (5-isopropenyl-2-methyl-3-oxocyclohexyl)(nitro)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-7(2)9-5-10(8(3)11(15)6-9)12(14(17)18)13(16)19-4/h8-10,12H,1,5-6H2,2-4H3
InChIKey CRYNTSHEGSEGNL-UHFFFAOYSA-N
Molecular Weight 269.297 g/mol
SMILES C1(C(C(CC(C1)C(=C)C)C(N(=O)=O)C(=O)OC)C)=O
SPLASH splash10-066r-9400000000-45097a5fee1a0aa417fe
Source of Spectrum OL-17-1231-2
Wiley ID 1612065