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2-Methyl-5-phenyl-4-nitrocyclohexanone

View entire compound with spectra: 1 MS (GC)

2-Methyl-5-phenyl-4-nitrocyclohexanone
SpectraBase Compound ID IhU5gH6jL4v
InChI InChI=1S/C13H15NO3/c1-9-7-12(14(16)17)11(8-13(9)15)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey TVJHNOPGUORZGI-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PYPCAROwC
Name 2-Methyl-5-phenyl-4-nitrocyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-9-7-12(14(16)17)11(8-13(9)15)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKey TVJHNOPGUORZGI-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES C1(C(CC(C(C1)c1ccccc1)N(=O)=O)C)=O
SPLASH splash10-000f-9800000000-8763819e606e18b771d1
Source of Spectrum SO-0-1243-5
Synonyms 2-Methyl-4-nitro-5-phenylcyclohexanone
Wiley ID 1543810