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Formononetin, mono-TMS
SpectraBase Compound ID 6RZewXbj08H
InChI InChI=1S/C19H20O4Si/c1-21-14-7-5-13(6-8-14)17-12-22-18-11-15(23-24(2,3)4)9-10-16(18)19(17)20/h5-12H,1-4H3
InChIKey YILUQYIRXQQCBA-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C19H20O4Si
Exact Mass 340.113086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CokZZknaDz
Name formononetin, 1TMS
Comments Derivatization type: 1 TMS (mass: 340.113); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000978; Note: The molecular formula of the structure shown is C16H12O4 - which differs from the formula reported for the mass spectrum (C19H20O4Si)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O4Si
InChI InChI=1S/C19H20O4Si/c1-21-14-7-5-13(6-8-14)17-12-22-18-11-15(23-24(2,3)4)9-10-16(18)19(17)20/h5-12H,1-4H3
InChIKey YILUQYIRXQQCBA-UHFFFAOYSA-N
Molecular Weight 340.450 g/mol
SMILES COc1ccc(cc1)C1=COc2cc(ccc2C1=O)O[Si](C)(C)C
SPLASH splash10-0016-2913000000-f898ecac57730801a890
Source of Spectrum FM-2019-978-0
Synonyms Biochanin B, 1TMS Formononetol, 1TMS Spectrum_000373, 1TMS SpecPlus_000223, 1TMS Spectrum2_000560, 1TMS 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, 1TMS 3-(4-Methoxyphenyl)-7-((trimethylsilyl)oxy)-4H-chromen-4-one
Wiley ID 1818638