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cis-(??)-1-Methoxyspirobrassinol tert-butyl ether
SpectraBase Compound ID 9ZqURSFDZcp
InChI InChI=1S/C16H22N2O2S2/c1-15(2,3)20-13-16(10-17-14(21-5)22-16)11-8-6-7-9-12(11)18(13)19-4/h6-9,13H,10H2,1-5H3/t13-,16-/m0/s1
InChIKey ADUPAFKEVKOUKB-BBRMVZONSA-N
Mol Weight 338.48 g/mol
Molecular Formula C16H22N2O2S2
Exact Mass 338.11227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EooytynGR1w
Name cis-(??)-1-Methoxyspirobrassinol tert-butyl ether
Appearance Bright yellow oil
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Formula C16H22N2O2S2
InChI InChI=1S/C16H22N2O2S2/c1-15(2,3)20-13-16(10-17-14(21-5)22-16)11-8-6-7-9-12(11)18(13)19-4/h6-9,13H,10H2,1-5H3/t13-,16-/m0/s1
InChIKey ADUPAFKEVKOUKB-BBRMVZONSA-N
Instrument Name GS-MS Trio 1000 Fisons
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.958
Molecular Weight 338.484 g/mol
SMILES c12N([C@]([C@@]3(c2cccc1)CN=C(S3)SC)(OC(C)(C)C)[H])OC
SPLASH splash10-0zfr-6090000000-3c8cabd126d5322ec364
Source of Spectrum ARK-2016-220-cis-(??)-9b
Thin-Layer Chromatography Rf = 0.51 (n-hexane/Me2CO 5:1)
Wiley ID 1840838