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(3aR,4S,9bR)-6-Ethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (1S)-1-ethoxycarbonylethyl ester
SpectraBase Compound ID G3AEkX5uHLs
InChI InChI=1S/C20H25NO4/c1-4-13-8-6-10-15-14-9-7-11-16(14)18(21-17(13)15)20(23)25-12(3)19(22)24-5-2/h6-10,12,14,16,18,21H,4-5,11H2,1-3H3/t12-,14-,16+,18-/m0/s1
InChIKey MBSUHYCHOPLVEH-ZKNMIIFVSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79ZqJx9O2sb
Name (3aR,4S,9bR)-6-Ethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (1S)-1-ethoxycarbonylethyl ester
Alternate Name(s) (1S)-2-ethoxy-1-methyl-2-oxoethyl (3aR,4S,9bR)-6-ethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
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Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-4-13-8-6-10-15-14-9-7-11-16(14)18(21-17(13)15)20(23)25-12(3)19(22)24-5-2/h6-10,12,14,16,18,21H,4-5,11H2,1-3H3/t12-,14-,16+,18-/m0/s1
InChIKey MBSUHYCHOPLVEH-ZKNMIIFVSA-N
Molecular Weight 343.423 g/mol
SMILES N1c2c([C@@]3(C=CC[C@]3([C@]1(C(O[C@](C(=O)OCC)(C)[H])=O)[H])[H])[H])cccc2CC
SPLASH splash10-0002-0902000000-e78a878f45932696692d
Source of Spectrum KC-57-6404-17
Wiley ID 1625162