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2-(2-nitro-1-phenyl-ethyl)-1-azabicyclo[2.2.2]octan-3-one
SpectraBase Compound ID IgVouiB2kS3
InChI InChI=1S/C15H18N2O3/c18-15-12-6-8-16(9-7-12)14(15)13(10-17(19)20)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKey ORRDDSJTJLTUEJ-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C15H18N2O3
Exact Mass 274.131742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcabnqDDO8R
Name 2-(2-nitro-1-phenyl-ethyl)-1-azabicyclo[2.2.2]octan-3-one
Alternate Name(s) 2-(2-nitro-1-phenyl-ethyl)quinuclidin-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H18N2O3
InChI InChI=1S/C15H18N2O3/c18-15-12-6-8-16(9-7-12)14(15)13(10-17(19)20)11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKey ORRDDSJTJLTUEJ-UHFFFAOYSA-N
Molecular Weight 274.320 g/mol
SMILES C1(C(CN(=O)=O)c2ccccc2)C(C2CCN1CC2)=O
SPLASH splash10-0udk-0090000000-c485d05b212173e7f2a3
Source of Spectrum KC-0-471-14
Wiley ID 783077