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2H-Benzo[a]quinolizine-2-acetic acid, 1-(2-cyanoethyl)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, ethyl ester, (1.alpha.,2.beta.,11b.beta.)-
SpectraBase Compound ID Imqgd7vM35g
InChI InChI=1S/C22H30N2O4/c1-4-28-21(25)13-16-8-11-24-10-7-15-12-19(26-2)20(27-3)14-18(15)22(24)17(16)6-5-9-23/h12,14,16-17,22H,4-8,10-11,13H2,1-3H3/t16-,17-,22+/m1/s1
InChIKey FYUOWVRMXGBKNV-YVHKJVDXSA-N
Mol Weight 386.49 g/mol
Molecular Formula C22H30N2O4
Exact Mass 386.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4rT1HrIKAQ
Name 2H-Benzo[a]quinolizine-2-acetic acid, 1-(2-cyanoethyl)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, ethyl ester, (1.alpha.,2.beta.,11b.beta.)-
CAS Registry Number 74184-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O4
InChI InChI=1S/C22H30N2O4/c1-4-28-21(25)13-16-8-11-24-10-7-15-12-19(26-2)20(27-3)14-18(15)22(24)17(16)6-5-9-23/h12,14,16-17,22H,4-8,10-11,13H2,1-3H3/t16-,17-,22+/m1/s1
InChIKey FYUOWVRMXGBKNV-YVHKJVDXSA-N
Molecular Weight 386.492 g/mol
SMILES c12[C@]3(N(CC[C@@]([C@]3(CCC#N)[H])(CC(=O)OCC)[H])CCc1cc(c(c2)OC)OC)[H]
SPLASH splash10-0002-0149000000-1a5b35d253045ef5b82d
Source of Spectrum F-35-2045-0
Synonyms Ethyl-9,10-dimethoxy-1.beta.-(2-cyanoethyl)-1,3,4,6,7,11b .alpha.-hexahydro-2H-benzo[a]quinolizin-(2.beta.)-ylacetate Ethyl[(1R,2R,11bS)-1-(2-cyanoethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]acetate
Wiley ID 1362739