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(5.beta.)-N-(4-Nitrobenzoyl)-1.beta,-(2-oxohexanyl)-3-azabicyclo[3.1.0]hexane
SpectraBase Compound ID 7K0c0B1G8PG
InChI InChI=1S/C18H22N2O4/c1-2-3-4-16(21)10-18-9-14(18)11-19(12-18)17(22)13-5-7-15(8-6-13)20(23)24/h5-8,14H,2-4,9-12H2,1H3
InChIKey MBPBVMXRCRJABA-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXH4hbhTGh8
Name (5.beta.)-N-(4-Nitrobenzoyl)-1.beta,-(2-oxohexanyl)-3-azabicyclo[3.1.0]hexane
Alternate Name(s) 1-[(1S,5S)-3-(4-nitrobenzoyl)-3-azabicyclo[3.1.0]hex-1-yl]-2-hexanone N-(4-Nitrobenzoyl)-1-(2-oxohexanyl)-3-azabicyclo[3.1.0]hexane 1-[3-[(4-nitrophenyl)-oxomethyl]-3-azabicyclo[3.1.0]hexan-1-yl]-2-hexanone 1-[3-(4-nitrophenyl)carbonyl-3-azabicyclo[3.1.0]hexan-1-yl]hexan-2-one
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Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-2-3-4-16(21)10-18-9-14(18)11-19(12-18)17(22)13-5-7-15(8-6-13)20(23)24/h5-8,14H,2-4,9-12H2,1H3
InChIKey MBPBVMXRCRJABA-UHFFFAOYSA-N
Molecular Weight 330.384 g/mol
SMILES C12(C(CN(C2)C(c2ccc(N(=O)=O)cc2)=O)C1)CC(=O)CCCC
SPLASH splash10-0udi-0920000000-d57888ce11489d143f25
Source of Spectrum J-61-2272-16
Wiley ID 1327853