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Mesembrin
SpectraBase Compound ID BEuuEWDYDM7
InChI InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKey DAHIQPJTGIHDGO-UHFFFAOYSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mhRMBfxa7z
Name 3a-(3,4-Dimethoxyphenyl)-1-methyloctahydro-6H-indol-6-one
Alternate Name(s) 3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one Mesembrine
CAS Registry Number 24880-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKey DAHIQPJTGIHDGO-UHFFFAOYSA-N
Molecular Weight 289.375 g/mol
SMILES CN1CCC2(CCC(CC12)=O)c1ccc(c(c1)OC)OC
SPLASH splash10-00kr-2090000000-4f4003680c0ae9e2215d
Source of Spectrum O-11-8-3
Wiley ID 1292747