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1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3(4H)-one-6,6-D2, 1-ethyl-1,2,5,6,8,9,14,14b-octahydro-11-methoxy-, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-
SpectraBase Compound ID 8x47vu2B2KY
InChI InChI=1S/C21H26N2O2/c1-3-21-10-13(8-14(24)11-21)12-23-7-6-16-17-9-15(25-2)4-5-18(17)22-19(16)20(21)23/h4-5,9,13,20,22H,3,6-8,10-12H2,1-2H3/t13-,20+,21-/m0/s1/i12D2
InChIKey MMMCTCHVHYJESX-SCFGTBNVSA-N
Mol Weight 340.46 g/mol
Molecular Formula C21H242D2N2O2
Exact Mass 340.211982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoF9poKAhrg
Name 1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3(4H)-one-6,6-D2, 1-ethyl-1,2,5,6,8,9,14,14b-octahydro-11-methoxy-, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-
CAS Registry Number 59367-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24D2N2O2
InChI InChI=1S/C21H26N2O2/c1-3-21-10-13(8-14(24)11-21)12-23-7-6-16-17-9-15(25-2)4-5-18(17)22-19(16)20(21)23/h4-5,9,13,20,22H,3,6-8,10-12H2,1-2H3/t13-,20+,21-/m0/s1/i12D2
InChIKey MMMCTCHVHYJESX-SCFGTBNVSA-N
Molecular Weight 340.463 g/mol
SMILES [nH]1c2ccc(cc2c2c1[C@]1(N(CC2)C([C@@]2(C[C@]1(CC(C2)=O)CC)[H])([2D])[2D])[H])OC
SPLASH splash10-000f-0339000000-99c1b523c7a1711da944
Source of Spectrum H-59-547-2
Synonyms Voaketon-19,19-D2
Wiley ID 1334074