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1-(Methoxycarbonyl)brassinin
SpectraBase Compound ID G2qQ50ptV2K
InChI InChI=1S/C13H14N2O2S2/c1-17-13(16)15-8-9(7-14-12(18)19-2)10-5-3-4-6-11(10)15/h3-6,8H,7H2,1-2H3,(H,14,18)
InChIKey RGYNBEXEZCWFPY-UHFFFAOYSA-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 HkvrQudYlf4
Name 1-(Methoxycarbonyl)brassinin
Appearance Bright yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2S2
InChI InChI=1S/C13H14N2O2S2/c1-17-13(16)15-8-9(7-14-12(18)19-2)10-5-3-4-6-11(10)15/h3-6,8H,7H2,1-2H3,(H,14,18)
InChIKey RGYNBEXEZCWFPY-UHFFFAOYSA-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 N(Cc1c[n](c2c1cccc2)C(OC)=O)C(SC)=S
SPLASH splash10-0a4r-9710000000-c447d53396c989d55f35
Source of Spectrum ARK-2016-225-25
Thin-Layer Chromatography Rf = 0.46 (n-hexane/EtOAc 2:1)
Wiley ID 1840830