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1-Acetylbrassinin
SpectraBase Compound ID EC3h08hzMI0
InChI InChI=1S/C13H14N2OS2/c1-9(16)15-8-10(7-14-13(17)18-2)11-5-3-4-6-12(11)15/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKey SBWKQCMIBYPQSZ-UHFFFAOYSA-N
Mol Weight 278.39 g/mol
Molecular Formula C13H14N2OS2
Exact Mass 278.054755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CaaGKt4dri
Name 1-Acetylbrassinin
Appearance Bright yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2OS2
InChI InChI=1S/C13H14N2OS2/c1-9(16)15-8-10(7-14-13(17)18-2)11-5-3-4-6-12(11)15/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKey SBWKQCMIBYPQSZ-UHFFFAOYSA-N
Instrument Name GS-MS Trio 1000 Fisons
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.958
Molecular Weight 278.388 g/mol
SMILES N(Cc1c2ccccc2[n](c1)C(C)=O)C(SC)=S
SPLASH splash10-001i-2910000000-960d33235d8c7083877b
Source of Spectrum ARK-2016-225-23
Thin-Layer Chromatography Rf = 0.59 (n-hexane/Me2CO 2:1)
Wiley ID 1840828