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1-Benzoylbrassinin
SpectraBase Compound ID eBINhCBULX
InChI InChI=1S/C18H16N2OS2/c1-23-18(22)19-11-14-12-20(16-10-6-5-9-15(14)16)17(21)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKey MMHGLGOBHCEDSH-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C18H16N2OS2
Exact Mass 340.070405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9s6eT4q61C
Name 1-Benzoylbrassinin
Appearance Bright yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2OS2
InChI InChI=1S/C18H16N2OS2/c1-23-18(22)19-11-14-12-20(16-10-6-5-9-15(14)16)17(21)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKey MMHGLGOBHCEDSH-UHFFFAOYSA-N
Instrument Name GS-MS Trio 1000 Fisons
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.958
Molecular Weight 340.459 g/mol
SMILES N(Cc1c[n](c2c1cccc2)C(c1ccccc1)=O)C(SC)=S
SPLASH splash10-0a7i-7973000000-7a5058e9c0c24b431901
Source of Spectrum ARK-2016-225-24
Thin-Layer Chromatography Rf = 0.66 (n-hexane/EtOAc 2:1)
Wiley ID 1840829