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trans-(??)-1-Acetylspirobrassinol methyl ether
SpectraBase Compound ID 9YJ6yf7OSVD
InChI InChI=1S/C14H16N2O2S2/c1-9(17)16-11-7-5-4-6-10(11)14(12(16)18-2)8-15-13(19-3)20-14/h4-7,12H,8H2,1-3H3/t12-,14+/m1/s1
InChIKey CGSILPWBVHWUGL-OCCSQVGLSA-N
Mol Weight 308.41 g/mol
Molecular Formula C14H16N2O2S2
Exact Mass 308.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXkT76TomYm
Name trans-(??)-1-Acetylspirobrassinol methyl ether
Appearance White crystals
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Formula C14H16N2O2S2
InChI InChI=1S/C14H16N2O2S2/c1-9(17)16-11-7-5-4-6-10(11)14(12(16)18-2)8-15-13(19-3)20-14/h4-7,12H,8H2,1-3H3/t12-,14+/m1/s1
InChIKey CGSILPWBVHWUGL-OCCSQVGLSA-N
Instrument Name GS-MS Trio 1000 Fisons
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.958
Molecular Weight 308.414 g/mol
SMILES c12N([C@@]([C@@]3(c2cccc1)CN=C(S3)SC)(OC)[H])C(C)=O
SPLASH splash10-05mo-9056000000-b6864b4a12c9ac85759f
Source of Spectrum ARK-2016-228-trans-(??)-30a
Thin-Layer Chromatography Rf = 0.63 (n-hexane/EtOAc 1:1)
Wiley ID 1840842