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(6S,12aR)-6-(1,3-Benzodioxol-5-yl)-6-deuterio-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino[1,2 :1,6]pyrido[3,4-b]indole-1,4-dione

View entire compound with spectra: 2 MS (GC)

(6S,12aR)-6-(1,3-Benzodioxol-5-yl)-6-deuterio-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino[1,2 :1,6]pyrido[3,4-b]indole-1,4-dione
SpectraBase Compound ID LBaxzG0UGIf
InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16?,21-/m0/s1/i21D
InChIKey WOXKDUGGOYFFRN-ZWIWRVBZSA-N
Mol Weight 390.42 g/mol
Molecular Formula C22H182DN3O4
Exact Mass 390.143833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CI7DfrAA1kz
Name (6S,12aR)-6-(1,3-Benzodioxol-5-yl)-6-deuterio-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino[1,2 :1,6]pyrido[3,4-b]indole-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18DN3O4
InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16?,21-/m0/s1/i21D
InChIKey WOXKDUGGOYFFRN-ZWIWRVBZSA-N
Molecular Weight 390.417 g/mol
SMILES [nH]1c2ccccc2c2CC3N([C@](c12)(c1cc2OCOc2cc1)[2D])C(CN(C3=O)C)=O
SPLASH splash10-01ox-0098000000-3be5f79f52d7357c9d80
Source of Spectrum U1-2010-1715-7
Synonyms (6S,12aS)-6-(1,3-Benzodioxol-5-yl)-6-deuterio-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino[1,2 :1,6]pyrido[3,4-b]indole-1,4-dione
Wiley ID 1663456