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4'-O-Demethyl-6-epi-mesembrenol
SpectraBase Compound ID IJmcLTiyfXA
InChI InChI=1S/C16H21NO3/c1-17-8-7-16(6-5-12(18)10-15(16)17)11-3-4-13(19)14(9-11)20-2/h3-6,9,12,15,18-19H,7-8,10H2,1-2H3/t12-,15-,16-/m0/s1
InChIKey JZSWMKUAEHCXIE-RCBQFDQVSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQv1vnblfgV
Name 4'-O-Demethyl-6-epi-mesembrenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-17-8-7-16(6-5-12(18)10-15(16)17)11-3-4-13(19)14(9-11)20-2/h3-6,9,12,15,18-19H,7-8,10H2,1-2H3/t12-,15-,16-/m0/s1
InChIKey JZSWMKUAEHCXIE-RCBQFDQVSA-N
Instrument Name Thermo Scientific Focus DSQ
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9116
Molecular Weight 275.348 g/mol
SMILES O[C@]1(C=C[C@]2(c3cc(c(cc3)O)OC)[C@](C1)(N(CC2)C)[H])[H]
SPLASH splash10-00di-9450000000-af5a390feb5aff430019
Source of Spectrum RCM-35-SM4-9
Wiley ID 1852153