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(3aR,4S,9bR)-3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (1S)-1-ethoxycarbonylethyl ester
SpectraBase Compound ID KRAUS7ehPKQ
InChI InChI=1S/C18H21NO4/c1-3-22-17(20)11(2)23-18(21)16-14-9-6-8-12(14)13-7-4-5-10-15(13)19-16/h4-8,10-12,14,16,19H,3,9H2,1-2H3/t11-,12-,14+,16-/m0/s1
InChIKey RJOPTTAOEFXGMI-GMZLATJGSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EBnXU8mHV
Name (3aR,4S,9bR)-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)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-3-22-17(20)11(2)23-18(21)16-14-9-6-8-12(14)13-7-4-5-10-15(13)19-16/h4-8,10-12,14,16,19H,3,9H2,1-2H3/t11-,12-,14+,16-/m0/s1
InChIKey RJOPTTAOEFXGMI-GMZLATJGSA-N
Molecular Weight 315.369 g/mol
SMILES N1c2ccccc2[C@]2([C@]([C@]1(C(=O)O[C@@](C)(C(=O)OCC)[H])[H])(CC=C2)[H])[H]
SPLASH splash10-00xr-0902000000-a37145ec7433684e64b7
Source of Spectrum KC-57-6404-16
Wiley ID 1625163