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1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3(4H)-one-2,2,4,4,6,6 -D6, 1-ethyl-1,2,5,6,8,9,14,14b-octahydro-11-methoxy-, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3(4H)-one-2,2,4,4,6,6 -D6, 1-ethyl-1,2,5,6,8,9,14,14b-octahydro-11-methoxy-, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-
SpectraBase Compound ID 6qnvekN27d3
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/i8D2,11D2,12D2
InChIKey MMMCTCHVHYJESX-TUDIZKSHSA-N
Mol Weight 344.49 g/mol
Molecular Formula C21H202D6N2O2
Exact Mass 344.237089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uOgiYJVqqR
Name 1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3(4H)-one-2,2,4,4,6,6 -D6, 1-ethyl-1,2,5,6,8,9,14,14b-octahydro-11-methoxy-, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-
CAS Registry Number 59367-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20D6N2O2
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/i8D2,11D2,12D2
InChIKey MMMCTCHVHYJESX-TUDIZKSHSA-N
Molecular Weight 344.488 g/mol
SMILES [nH]1c2ccc(cc2c2c1[C@]1(N(CC2)C([C@@]2(C[C@]1(C(C(C2([2D])[2D])=O)([2D])[2D])CC)[H])([2D])[2D])[H])OC
SPLASH splash10-0006-0259000000-96e041283be395c041a6
Source of Spectrum H-59-548-6
Synonyms Voaketon-1,1,19,19,22,22-D6
Wiley ID 1334076