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1H-Dibenzo[a,h]quinolizine-2-carbonitrile, 2,3,4,4a,5,6,8,9,13b,13c-decahydro-11,12-dimethoxy-3-oxo-, (4a.alpha.,13b.alpha.,13c.alpha.)-

View entire compound with spectra: 1 MS (GC)

1H-Dibenzo[a,h]quinolizine-2-carbonitrile, 2,3,4,4a,5,6,8,9,13b,13c-decahydro-11,12-dimethoxy-3-oxo-, (4a.alpha.,13b.alpha.,13c.alpha.)-
SpectraBase Compound ID 4IztZo6RPCr
InChI InChI=1S/C20H24N2O3/c1-24-18-9-13-4-6-22-5-3-12-8-17(23)14(11-21)7-15(12)20(22)16(13)10-19(18)25-2/h9-10,12,14-15,20H,3-8H2,1-2H3/t12-,14?,15+,20-/m1/s1
InChIKey AKGONBKLTPJTNG-WHVSPWKTSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fe4By4ia0VG
Name 1H-Dibenzo[a,h]quinolizine-2-carbonitrile, 2,3,4,4a,5,6,8,9,13b,13c-decahydro-11,12-dimethoxy-3-oxo-, (4a.alpha.,13b.alpha.,13c.alpha.)-
CAS Registry Number 74170-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c1-24-18-9-13-4-6-22-5-3-12-8-17(23)14(11-21)7-15(12)20(22)16(13)10-19(18)25-2/h9-10,12,14-15,20H,3-8H2,1-2H3/t12-,14?,15+,20-/m1/s1
InChIKey AKGONBKLTPJTNG-WHVSPWKTSA-N
Molecular Weight 340.423 g/mol
SMILES c12[C@]3([C@]4(CC(C#N)C(C[C@@]4([H])CCN3CCc1cc(c(c2)OC)OC)=O)[H])[H]
SPLASH splash10-0006-0389000000-b35018c00e57e061af04
Source of Spectrum F-35-2046-0
Synonyms (4aR,13bR,13cS)-11,12-dimethoxy-3-oxo-2,3,4,4a,5,6,8,9,13b,13c-decahydro-1H-isoquino[1,2-a]isoquinoline-2-carbonitrile 11,12-Dimethoxy-3-oxo-(cis,syn-1,2,3,4,4a,5,6,8,9,13c-decahydro-13b.alpha.-H-dibenzo[a,h]quinolizin-(2))-yl carbonitrile
Wiley ID 1335296