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trans-(??)-1-Acetylspirobrassinol
SpectraBase Compound ID FDi4L39jqts
InChI InChI=1S/C13H14N2O2S2/c1-8(16)15-10-6-4-3-5-9(10)13(11(15)17)7-14-12(18-2)19-13/h3-6,11,17H,7H2,1-2H3/t11-,13+/m1/s1
InChIKey UKFGWDHWRGPKFF-YPMHNXCESA-N
Mol Weight 294.39 g/mol
Molecular Formula C13H14N2O2S2
Exact Mass 294.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzIGBlmSiFq
Name trans-(??)-1-Acetylspirobrassinol
Appearance Sallow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2S2
InChI InChI=1S/C13H14N2O2S2/c1-8(16)15-10-6-4-3-5-9(10)13(11(15)17)7-14-12(18-2)19-13/h3-6,11,17H,7H2,1-2H3/t11-,13+/m1/s1
InChIKey UKFGWDHWRGPKFF-YPMHNXCESA-N
Instrument Name GS-MS Trio 1000 Fisons
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.958
Molecular Weight 294.387 g/mol
SMILES O[C@@]1([C@@]2(c3c(N1C(C)=O)cccc3)CN=C(S2)SC)[H]
SPLASH splash10-0006-8090000000-12fa04c2e6e68541ff35
Source of Spectrum ARK-2016-226-trans-(??)-26a
Thin-Layer Chromatography Rf (trans) = 0.52 (n-hexane/EtOAc 1:3)
Wiley ID 1840839