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trans-N-Ethoxycarbonyl-3-azabicyclo[4.4.0]decane-9-one
SpectraBase Compound ID LFcxgNHm2h3
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-UWVGGRQHSA-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 1rGqbnDOBgm
Name trans-N-Ethoxycarbonyl-3-azabicyclo[4.4.0]decane-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-UWVGGRQHSA-N
Molecular Weight 225.288 g/mol
SMILES C(N1C[C@]2([C@](CCC(C2)=O)([H])CC1)[H])(=O)OCC
SPLASH splash10-014i-0900000000-e2dee54bfdd895030cd9
Source of Spectrum C-120-10686-trans-36
Synonyms (trans)-2-(Ethoxycarbonyl)-2-aza-8-oxobicyclo[4.4.0]decane Ethyl (4aS,8aR)-7-oxooctahydro-2(1H)-isoquinolinecarboxylate (4aS,8aR)-7-oxo-1,3,4,4a,5,6,8,8a-octahydroisoquinoline-2-carboxylic acid ethyl ester Ethyl (4aS,8aR)-7-oxo-1,3,4,4a,5,6,8,8a-octahydroisoquinoline-2-carboxylate Ethyl (4aS,8aR)-7-oxidanylidene-1,3,4,4a,5,6,8,8a-octahydroisoquinoline-2-carboxylate
Wiley ID 1699914