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(1S,6S)-N-Ethoxycarbonyl-3-azabicyclo[4.4.0]decane-9-one
SpectraBase Compound ID BWOfzBT0q5p
InChI InChI=1S/C12H19NO3/c1-2-16-12(15)13-6-5-9-3-4-11(14)7-10(9)8-13/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKey UWXKPYMJZCTHJN-VHSXEESVSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Bs0DHtivIc
Name (1S,6S)-N-Ethoxycarbonyl-3-azabicyclo[4.4.0]decane-9-one
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Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-2-16-12(15)13-6-5-9-3-4-11(14)7-10(9)8-13/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKey UWXKPYMJZCTHJN-VHSXEESVSA-N
Molecular Weight 225.288 g/mol
SMILES C(N1C[C@]2(CC(=O)CC[C@]2(CC1)[H])[H])(=O)OCC
SPLASH splash10-014i-0900000000-365b943ad9055df9c5bb
Source of Spectrum C-120-10684-36
Synonyms cis-N-Ethoxycarbonyl-3-aza-bicyclo[4.4.0]decane-9-one Ethyl (4aS,8aS)-7-oxooctahydro-2(1H)-isoquinolinecarboxylate
Wiley ID 761115