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Mesembrenone
SpectraBase Compound ID JXDvx5GAb1j
InChI InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m1/s1
InChIKey HDNHBCSWFYFPAN-IAGOWNOFSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGCIClMX3Uu
Name Mesembrenone
CAS Registry Number 468-54-2
Classification Psychoactive herb ingredient
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 287.152143537 u
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m1/s1
InChIKey HDNHBCSWFYFPAN-IAGOWNOFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 287.359 g/mol
Nominal Mass 287 u
Quality 948
Retention Index 2323
SMILES [C@]12([C@](N(CC2)C)(CC(C=C1)=O)[H])C1=CC(=C(C=C1)OC)OC
SPLASH splash10-00di-9540000000-babfa4be176b56f19eba
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (3aR,7aS)-3a-(3,4-Dimethoxyphenyl)-1-methyl-2,3,7,7a-tetrahydroindol-6-one
Technique GC/MS
Wiley ID DD2024_025385