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Benzeneacetic acid, .alpha.,3,4-tris[(trimethylsilyl)oxy]-, trimethylsilyl ester
SpectraBase Compound ID H8stSZZcmG6
InChI InChI=1S/C20H40O5Si4/c1-26(2,3)22-17-14-13-16(15-18(17)23-27(4,5)6)19(24-28(7,8)9)20(21)25-29(10,11)12/h13-15,19H,1-12H3
InChIKey MDAKQGIALDYWHV-UHFFFAOYSA-N
Mol Weight 472.9 g/mol
Molecular Formula C20H40O5Si4
Exact Mass 472.195281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DL7jTf6a2EX
Name 3,4-Dihydroxymandelic acid, 4TMS
Comments Derivatization type: 4 TMS (mass: 472.195); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000805; Note: The molecular formula of the structure shown is C8H8O5 - which differs from the formula reported for the mass spectrum (C20H40O5Si4)
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Formula C20H40O5Si4
InChI InChI=1S/C20H40O5Si4/c1-26(2,3)22-17-14-13-16(15-18(17)23-27(4,5)6)19(24-28(7,8)9)20(21)25-29(10,11)12/h13-15,19H,1-12H3
InChIKey MDAKQGIALDYWHV-UHFFFAOYSA-N
Molecular Weight 472.875 g/mol
SMILES c1cc(c(cc1C(C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0a4i-0938000000-86f41bc5e0194f6ceaa8
Source of Spectrum FM-2019-805-0
Synonyms Dihydroxymandelic acid, 4TMS 3,4-Dihydroxymandelate, 4TMS 3,4-Dihydroxymandelic acid, 4TMS 3,4 Dihydroxymandelic Acid, 4TMS dl-3,4-Dihydroxymandelic acid, 4TMS 151610_ALDRICH, 4TMS 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid, 4TMS Trimethylsilyl 2-(3,4-bis((trimethylsilyl)oxy)phenyl)-2-((trimethylsilyl)oxy)acetate
Wiley ID 1818479