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1,14-Secoeburnamenine-14-carboxylic acid, 14,15-dihydro-19-thioxo-, methyl ester, (.+-.)-
SpectraBase Compound ID 2y5KAerVrJh
InChI InChI=1S/C21H26N2O2S/c1-3-21(12-9-18(24)25-2)11-8-17(26)23-13-10-15-14-6-4-5-7-16(14)22-19(15)20(21)23/h4-7,20,22H,3,8-13H2,1-2H3
InChIKey IASDORQRTOBDOL-UHFFFAOYSA-N
Mol Weight 370.51 g/mol
Molecular Formula C21H26N2O2S
Exact Mass 370.171499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DNZn231zk1
Name 1,14-Secoeburnamenine-14-carboxylic acid, 14,15-dihydro-19-thioxo-, methyl ester, (.+-.)-
Alternate Name(s) Indolo[2,3-a]quinolizine, 1,14-secoeburnamenine-14-carboxylic acid deriv. 1-.alpha.ethyl-1-.beta.-methoxycarbonylethyl-1,2,3,6,7,12,12b-heptahydro-3H-indo[2,3-a]-quinolizin-4-one methyl 3-(1-ethyl-4-thioxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)propanoate
CAS Registry Number 115888-53-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O2S
InChI InChI=1S/C21H26N2O2S/c1-3-21(12-9-18(24)25-2)11-8-17(26)23-13-10-15-14-6-4-5-7-16(14)22-19(15)20(21)23/h4-7,20,22H,3,8-13H2,1-2H3
InChIKey IASDORQRTOBDOL-UHFFFAOYSA-N
Molecular Weight 370.511 g/mol
SMILES [nH]1c2ccccc2c2c1C1N(CC2)C(CCC1(CCC(=O)OC)CC)=S
SPLASH splash10-00fr-0079000000-98940164087dc95bd1d4
Source of Spectrum J-53-4239-6
Wiley ID 1354355