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2-Oxo-epi-mesembrenol
SpectraBase Compound ID F48J1y06mt1
InChI InChI=1S/C17H21NO4/c1-18-15-9-12(19)6-7-17(15,10-16(18)20)11-4-5-13(21-2)14(8-11)22-3/h4-8,12,15,19H,9-10H2,1-3H3/t12-,15-,17-/m0/s1
InChIKey MMFSKQMWRLWMRV-NUTKFTJISA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gmzFdqTcxp
Name 2-Oxo-epi-mesembrenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-18-15-9-12(19)6-7-17(15,10-16(18)20)11-4-5-13(21-2)14(8-11)22-3/h4-8,12,15,19H,9-10H2,1-3H3/t12-,15-,17-/m0/s1
InChIKey MMFSKQMWRLWMRV-NUTKFTJISA-N
Instrument Name Thermo Scientific Focus DSQ
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9116
Molecular Weight 303.358 g/mol
SMILES O[C@]1(C=C[C@@]2([C@](C1)(N(C(C2)=O)C)[H])c1ccc(c(c1)OC)OC)[H]
SPLASH splash10-0udi-5973000000-85dee2fa5ec5aae5be72
Source of Spectrum RCM-35-8-28
Wiley ID 1852118