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2-[1-(2-Naphthyl)-2-nitroethyl]cyclohexanone
SpectraBase Compound ID 3QTiuICWTiZ
InChI InChI=1S/C18H19NO3/c20-18-8-4-3-7-16(18)17(12-19(21)22)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,9-11,16-17H,3-4,7-8,12H2
InChIKey JLPIXDTUUWHUSW-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQ8rvsLHC4T
Name 2-[1-(2-Naphthyl)-2-nitroethyl]cyclohexanone
CAS Registry Number 83976-48-1
Comments Less than 3 mono-isotopic peaks
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Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c20-18-8-4-3-7-16(18)17(12-19(21)22)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,9-11,16-17H,3-4,7-8,12H2
InChIKey JLPIXDTUUWHUSW-UHFFFAOYSA-N
Molecular Weight 297.354 g/mol
SMILES c12c(cccc2)ccc(c1)C(CN(=O)=O)C1CCCCC1=O
SPLASH splash10-00di-0090000000-a77dfb457777df621700
Source of Spectrum H-65-1650-0
Synonyms 2-(1-naphthalen-2-yl-2-nitro-ethyl)cyclohexan-1-one 2-[1-(2-naphthalenyl)-2-nitroethyl]-1-cyclohexanone Cyclohexanone, 2-[2-nitro-1-(2-naphthyl)ethyl]- 2-(1-naphthalen-2-yl-2-nitroethyl)cyclohexan-1-one
Wiley ID 1300220