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Benzeneacetic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
SpectraBase Compound ID 8BSn9xTdvT2
InChI InChI=1S/C17H32O4Si3/c1-22(2,3)19-15-11-10-14(12-16(15)20-23(4,5)6)13-17(18)21-24(7,8)9/h10-12H,13H2,1-9H3
InChIKey RYYDTJQPEUISHG-UHFFFAOYSA-N
Mol Weight 384.7 g/mol
Molecular Formula C17H32O4Si3
Exact Mass 384.160839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yeX1l0q8ja
Name 3,4-Dihydroxyphenylacetic acid, 3TMS
Comments Derivatization type: 3 TMS (mass: 384.161); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000189; Note: The molecular formula of the structure shown is C8H8O4 - which differs from the formula reported for the mass spectrum (C17H32O4Si3)
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Formula C17H32O4Si3
InChI InChI=1S/C17H32O4Si3/c1-22(2,3)19-15-11-10-14(12-16(15)20-23(4,5)6)13-17(18)21-24(7,8)9/h10-12H,13H2,1-9H3
InChIKey RYYDTJQPEUISHG-UHFFFAOYSA-N
Molecular Weight 384.694 g/mol
SMILES c1cc(c(cc1CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-004i-0931000000-3c9298f2047032b1c486
Source of Spectrum FM-2019-189-0
Synonyms Dopac, 3TMS Dopacetic acid, 3TMS Homoprotocatechuate, 3TMS Homoprotocatechuic acid, 3TMS 3,4-Dihydroxyphenylacetic acid, 3TMS Homogentisic acid, 3TMS 2-(3,4-dihydroxyphenyl)acetic acid, 3TMS Trimethylsilyl 2-(3,4-bis((trimethylsilyl)oxy)phenyl)acetate
Wiley ID 1817880