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2-Methyl-5-(4-fluorophenyl)-4-nitrocyclohexanone
SpectraBase Compound ID 3rOTApXgvOX
InChI InChI=1S/C13H14FNO3/c1-8-6-12(15(17)18)11(7-13(8)16)9-2-4-10(14)5-3-9/h2-5,8,11-12H,6-7H2,1H3
InChIKey DBQSYBSUOGKQOF-UHFFFAOYSA-N
Mol Weight 251.26 g/mol
Molecular Formula C13H14FNO3
Exact Mass 251.095771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRfgXecM6hW
Name 2-Methyl-5-(4-fluorophenyl)-4-nitrocyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14FNO3
InChI InChI=1S/C13H14FNO3/c1-8-6-12(15(17)18)11(7-13(8)16)9-2-4-10(14)5-3-9/h2-5,8,11-12H,6-7H2,1H3
InChIKey DBQSYBSUOGKQOF-UHFFFAOYSA-N
Molecular Weight 251.257 g/mol
SMILES C1(C(CC(C(C1)c1ccc(cc1)F)N(=O)=O)C)=O
SPLASH splash10-0pb9-0890000000-4974499db73ac3a85990
Source of Spectrum SO-0-1243-5
Synonyms 5-(4-fluorophenyl)-2-methyl-4-nitrocyclohexanone
Wiley ID 1543809