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Mesembranol
SpectraBase Compound ID jjMxaAiCOI
InChI InChI=1S/C17H25NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,16,19H,6-9,11H2,1-3H3/t13?,16-,17-/m1/s1
InChIKey KPMLOZVRLWHOBN-SYFTWWQRSA-N
Mol Weight 291.39 g/mol
Molecular Formula C17H25NO3
Exact Mass 291.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWKdgkzTaHg
Name Mesembranol
CAS Registry Number 23544-42-5
Classification Psychoactive herb ingredient
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 291.183443666 u
Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,16,19H,6-9,11H2,1-3H3/t13?,16-,17-/m1/s1
InChIKey KPMLOZVRLWHOBN-SYFTWWQRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 291.391 g/mol
Nominal Mass 291 u
Quality 947
Retention Index 2289
SMILES OC1C[C@@]2([C@@](C3=CC(=C(C=C3)OC)OC)(CCN2C)CC1)[H]
SPLASH splash10-0006-6590000000-dc9c13385dfa6bdd71ec
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3a-(3,4-Dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
Technique GC/MS
Wiley ID DD2024_025671