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(5.beta.)-N-(4-Methoxybenzoyl)-1.beta.-(2-oxohexyl)-5.beta.-vinyl-3-azabicyclo[3.1.0]hexane
SpectraBase Compound ID Cmbn4nVyzfA
InChI InChI=1S/C21H27NO3/c1-4-6-7-17(23)12-21-13-20(21,5-2)14-22(15-21)19(24)16-8-10-18(25-3)11-9-16/h5,8-11H,2,4,6-7,12-15H2,1,3H3/t20-,21+/m0/s1
InChIKey NQZWIBSWVGSKCZ-LEWJYISDSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtXiCxBJ2WT
Name (5.beta.)-N-(4-Methoxybenzoyl)-1.beta.-(2-oxohexyl)-5.beta.-vinyl-3-azabicyclo[3.1.0]hexane
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Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-4-6-7-17(23)12-21-13-20(21,5-2)14-22(15-21)19(24)16-8-10-18(25-3)11-9-16/h5,8-11H,2,4,6-7,12-15H2,1,3H3/t20-,21+/m0/s1
InChIKey NQZWIBSWVGSKCZ-LEWJYISDSA-N
Molecular Weight 341.451 g/mol
SMILES [C@@]12(CN(C[C@@]2(C1)C=C)C(c1ccc(cc1)OC)=O)CC(CCCC)=O
SPLASH splash10-000i-0904000000-3dfbe5482a1b5e3bf5f5
Source of Spectrum F-67-8678-18
Synonyms 1-[(1R,5S)-3-(4-methoxybenzoyl)-5-vinyl-3-azabicyclo[3.1.0]hex-1-yl]-2-hexanone 1-[(1R,5S)-3-(4-methoxybenzoyl)-5-vinyl-3-azabicyclo[3.1.0]hexan-1-yl]hexan-2-one 1-[(1R,5S)-3-p-anisoyl-5-vinyl-3-azabicyclo[3.1.0]hexan-1-yl]hexan-2-one 1-[(1R,5S)-5-ethenyl-3-(4-methoxybenzoyl)-3-azabicyclo[3.1.0]hexan-1-yl]hexan-2-one 1-[(1R,5S)-5-ethenyl-3-(4-methoxyphenyl)carbonyl-3-azabicyclo[3.1.0]hexan-1-yl]hexan-2-one 1-[(1R,5S)-5-ethenyl-3-[(4-methoxyphenyl)-oxomethyl]-3-azabicyclo[3.1.0]hexan-1-yl]-2-hexanone 1-[(1S,5R)-1-ethenyl-3-[(4-methoxyphenyl)-oxomethyl]-3-azabicyclo[3.1.0]hexan-5-yl]-2-hexanone 1-[(1S,5R)-1-ethenyl-3-(4-methoxybenzoyl)-3-azabicyclo[3.1.0]hexan-5-yl]hexan-2-one 1-[(1S,5R)-3-(4-methoxybenzoyl)-1-vinyl-3-azabicyclo[3.1.0]hexan-5-yl]hexan-2-one 1-[(1S,5R)-1-ethenyl-3-(4-methoxyphenyl)carbonyl-3-azabicyclo[3.1.0]hexan-5-yl]hexan-2-one
Wiley ID 1571293