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3-Oxotabersonine
SpectraBase Compound ID IHGX2Qxufaq
InChI InChI=1S/C21H22N2O3/c1-3-20-9-8-16(24)23-11-10-21(19(20)23)14-6-4-5-7-15(14)22-17(21)13(12-20)18(25)26-2/h4-9,19,22H,3,10-12H2,1-2H3
InChIKey GQTPVPFEACGBJK-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 173SuHqICY7
Name 3-Oxotabersonine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-3-20-9-8-16(24)23-11-10-21(19(20)23)14-6-4-5-7-15(14)22-17(21)13(12-20)18(25)26-2/h4-9,19,22H,3,10-12H2,1-2H3
InChIKey GQTPVPFEACGBJK-UHFFFAOYSA-N
Molecular Weight 350.418 g/mol
SMILES N1c2c(C34C1=C(CC1(C4N(C(C=C1)=O)CC3)CC)C(=O)OC)cccc2
SPLASH splash10-004j-0890000000-f1d3c224a384a2b3d95a
Source of Spectrum J-58-1441-42
Synonyms Methyl 8-oxo-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate
Wiley ID 1342098