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2,6-Dimethyl-4-nitro-3-phenyl-1-cyclohexanone
SpectraBase Compound ID CdMJcukr1b1
InChI InChI=1S/C14H17NO3/c1-9-8-12(15(17)18)13(10(2)14(9)16)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKey FCKXGTBPFNRWQX-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdeZcNpBHON
Name 2,6-Dimethyl-4-nitro-3-phenyl-1-cyclohexanone
CAS Registry Number 101328-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-9-8-12(15(17)18)13(10(2)14(9)16)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKey FCKXGTBPFNRWQX-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C1(=O)C(C(c2ccccc2)C(CC1C)N(=O)=O)C
SPLASH splash10-00kf-4900000000-db419251ad16457babbf
Source of Spectrum C-112-7634-4
Synonyms 2,6-Dimethyl-4-nitro-3-phenyl-cyclohexan-1-one 2,6-Dimethyl-4-nitro-3-phenyl-cyclohexanone
Wiley ID 1250060