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17-Norcorynan-18,18-dicarbonitrile, 16-(acetyloxy)-21-oxo-, (3.beta.)-(.+-.)-
SpectraBase Compound ID GmQlnfi7eO8
InChI InChI=1S/C22H22N4O3/c1-13(27)29-12-15-9-20-21-17(16-4-2-3-5-19(16)25-21)6-7-26(20)22(28)18(15)8-14(10-23)11-24/h2-5,14-15,18,20,25H,6-9,12H2,1H3/t15?,18?,20-/m1/s1
InChIKey FGRHMPOEYIJVJY-PKUWUEBNSA-N
Mol Weight 390.44 g/mol
Molecular Formula C22H22N4O3
Exact Mass 390.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGHAj6U4AlX
Name 17-Norcorynan-18,18-dicarbonitrile, 16-(acetyloxy)-21-oxo-, (3.beta.)-(.+-.)-
CAS Registry Number 78381-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4O3
InChI InChI=1S/C22H22N4O3/c1-13(27)29-12-15-9-20-21-17(16-4-2-3-5-19(16)25-21)6-7-26(20)22(28)18(15)8-14(10-23)11-24/h2-5,14-15,18,20,25H,6-9,12H2,1H3/t15?,18?,20-/m1/s1
InChIKey FGRHMPOEYIJVJY-PKUWUEBNSA-N
Molecular Weight 390.443 g/mol
SMILES [nH]1c2ccccc2c2CCN3[C@@](c12)(CC(C(C3=O)CC(C#N)C#N)COC(=O)C)[H]
SPLASH splash10-000f-0479000000-00e9ff50681f76995430
Source of Spectrum K-114-1916-0
Synonyms Indolo[2,3-a]quinolizine, 17-norcorynan-18,18-dicarbonitrile deriv. [(12bR)-3-(2,2-dicyanoethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]methyl acetate [2.beta.-(acetoxymethyl)-1,2,3,4,6,7,12,12b.beta.-octahydro-4-oxoindolo[2,3-a]quinolizin-3.alpha.-ylmethyl]malononitrile
Wiley ID 1364837