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(1S,3S)-Methyl 1-Deuterio-1-(1,3-benzodioxol-5-yl)-pyrido[3,4-b]indole-3-carboxylate

View entire compound with spectra: 1 MS (GC)

(1S,3S)-Methyl 1-Deuterio-1-(1,3-benzodioxol-5-yl)-pyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID DjbT7jxzC0F
InChI InChI=1S/C20H18N2O4/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,21-22H,9-10H2,1H3/t15-,18-/m0/s1/i18D
InChIKey LIPVUDSNGRJSQE-CNSZUAHHSA-N
Mol Weight 351.38 g/mol
Molecular Formula C20H172DN2O4
Exact Mass 351.132934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63ujf4qGQSO
Name (1S,3S)-Methyl 1-Deuterio-1-(1,3-benzodioxol-5-yl)-pyrido[3,4-b]indole-3-carboxylate
Alternate Name(s) (1S,3S)-1-(1,3-benzodioxol-5-yl)-1-deuterio-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-1-deuterio-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
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Formula C20H17DN2O4
InChI InChI=1S/C20H18N2O4/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16/h2-8,15,18,21-22H,9-10H2,1H3/t15-,18-/m0/s1/i18D
InChIKey LIPVUDSNGRJSQE-CNSZUAHHSA-N
Molecular Weight 351.380 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](N[C@@](C2)(C(=O)OC)[H])(c1cc2OCOc2cc1)[2D]
SPLASH splash10-0w29-0195000000-221c79e10533f5bc2402
Source of Spectrum U1-2010-1714-6
Wiley ID 1663458