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2-Propenoic acid, 3-[3,4-bis[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester
SpectraBase Compound ID JisF1WHbPHP
InChI InChI=1S/C18H32O4Si3/c1-23(2,3)20-16-12-10-15(14-17(16)21-24(4,5)6)11-13-18(19)22-25(7,8)9/h10-14H,1-9H3/b13-11+
InChIKey MBIYCWDFSLHMSI-ACCUITESSA-N
Mol Weight 396.7 g/mol
Molecular Formula C18H32O4Si3
Exact Mass 396.160839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDcLcuXGYpW
Name 3,4-Dihydroxycinnamic acid, 3TMS
Alternate Name(s) Spectrum_001686, 3TMS SpecPlus_000528, 3TMS Prestwick0_000902, 3TMS Prestwick1_000902, 3TMS Spectrum2_001612, 3TMS Spectrum4_001694, 3TMS 3-(3,4-dihydroxyphenyl)prop-2-enoic acid, 3TMS Trimethylsilyl (E)-3-(3,4-bis((trimethylsilyl)oxy)phenyl)acrylate
Comments Derivatization type: 3 TMS (mass: 396.161); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000172; Note: The molecular formula of the structure shown is C9H8O4 - which differs from the formula reported for the mass spectrum (C18H32O4Si3)
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Formula C18H32O4Si3
InChI InChI=1S/C18H32O4Si3/c1-23(2,3)20-16-12-10-15(14-17(16)21-24(4,5)6)11-13-18(19)22-25(7,8)9/h10-14H,1-9H3/b13-11+
InChIKey MBIYCWDFSLHMSI-ACCUITESSA-N
Molecular Weight 396.705 g/mol
SMILES c1cc(c(cc1\C=C\C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-014i-0692000000-e7ae865d25b217dbb5fa
Source of Spectrum FM-2019-172-0
Wiley ID 1817863