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(+/-)-MESEMBRANONE
SpectraBase Compound ID 3CgHgET8Prp
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/t16-,17-/m0/s1
InChIKey DAHIQPJTGIHDGO-IRXDYDNUSA-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 HQz5dkcUOC9
Name Mesembrine
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/t16-,17-/m0/s1
InChIKey DAHIQPJTGIHDGO-IRXDYDNUSA-N
Instrument Name Thermo Scientific Focus DSQ
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9116
Molecular Weight 289.375 g/mol
SMILES [C@@]12(CCC(C[C@@]2(N(CC1)C)[H])=O)c1cc(c(cc1)OC)OC
SPLASH splash10-01bj-5590000000-c75ddbfc6034f3c1fc73
Source of Spectrum RCM-35-SM3-7
Wiley ID 1852150