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(1S,3S) and(1R,3S)-Methyl 2-(ethoxycarbonylmethyl)-1-(2-methoxycarbonylethyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID CLg7hsCnSt2
InChI InChI=1S/C21H26N2O6/c1-4-29-19(25)12-23-16(9-10-18(24)27-2)20-14(11-17(23)21(26)28-3)13-7-5-6-8-15(13)22-20/h5-8,16-17,22H,4,9-12H2,1-3H3/t16?,17-/m0/s1
InChIKey LLQIXVHZODSGJE-DJNXLDHESA-N
Mol Weight 402.45 g/mol
Molecular Formula C21H26N2O6
Exact Mass 402.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMqxwW0Rutv
Name (1S,3S) and(1R,3S)-Methyl 2-(ethoxycarbonylmethyl)-1-(2-methoxycarbonylethyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate
Alternate Name(s) (1S,3S) and(1R,3S)-Methyl 2-(ethoxycarbonylmethyl)-1-(2-methoxycarbonylethyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate (1S,3S)-2-(2-ethoxy-2-oxoethyl)-1-(3-methoxy-3-oxopropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester Methyl (1S,3S)-2-(2-ethoxy-2-oxoethyl)-1-(3-methoxy-3-oxopropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Methyl (1S,3S)-2-(2-ethoxy-2-oxo-ethyl)-1-(3-methoxy-3-oxo-propyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
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Formula C21H26N2O6
InChI InChI=1S/C21H26N2O6/c1-4-29-19(25)12-23-16(9-10-18(24)27-2)20-14(11-17(23)21(26)28-3)13-7-5-6-8-15(13)22-20/h5-8,16-17,22H,4,9-12H2,1-3H3/t16?,17-/m0/s1
InChIKey LLQIXVHZODSGJE-DJNXLDHESA-N
Molecular Weight 402.447 g/mol
SMILES [nH]1c2ccccc2c2c1C(N([C@@](C2)(C(=O)OC)[H])CC(=O)OCC)CCC(=O)OC
SPLASH splash10-014i-0009100000-183c60c5bc2ead5b31b1
Source of Spectrum KC-1993-445-18
Wiley ID 779153