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1H-Dibenzo[a,h]quinolizine-2-carbonitrile, 2,3,4,4a,5,6,8,9,13b,13c-decahydro-3-hydroxy-11,12-dimethoxy-, (2.alpha.,3.alpha.,4a.beta.,13b.beta.,13c.beta.)-
SpectraBase Compound ID 7ee8HdM9I3I
InChI InChI=1S/C20H26N2O3/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/h9-10,12,14-15,17,20,23H,3-8H2,1-2H3/t12?,14-,15?,17-,20+/m1/s1
InChIKey YFEHLCCSBZFLJH-RUCMGWJBSA-N
Mol Weight 342.44 g/mol
Molecular Formula C20H26N2O3
Exact Mass 342.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8286VEuz2q7
Name 1H-Dibenzo[a,h]quinolizine-2-carbonitrile, 2,3,4,4a,5,6,8,9,13b,13c-decahydro-3-hydroxy-11,12-dimethoxy-, (2.alpha.,3.alpha.,4a.beta.,13b.beta.,13c.beta.)-
CAS Registry Number 74170-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O3
InChI InChI=1S/C20H26N2O3/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/h9-10,12,14-15,17,20,23H,3-8H2,1-2H3/t12?,14-,15?,17-,20+/m1/s1
InChIKey YFEHLCCSBZFLJH-RUCMGWJBSA-N
Molecular Weight 342.439 g/mol
SMILES O[C@@]1(CC2C([C@]3(c4c(cc(c(c4)OC)OC)CCN3CC2)[H])C[C@@]1(C#N)[H])[H]
SPLASH splash10-0006-0479000000-578bc057631d130f4495
Source of Spectrum F-35-2046-0
Synonyms (2R,3R,13bS)-3-hydroxy-11,12-dimethoxy-2,3,4,4a,5,6,8,9,13b,13c-decahydro-1H-isoquino[1,2-a]isoquinoline-2-carbonitrile 11,12-Dimethoxy-3.beta.-hydroxy-(cis,syn-1,2,3,4,4a,5,6,8,9,13c-decahydro-13b.alpha.H-dibenzo[a,h]quinolizin-2.beta.)-yl carbonitrile
Wiley ID 1336700