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Benzeneacetic acid, .alpha.,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
SpectraBase Compound ID 5wxkq8CKLk6
InChI InChI=1S/C17H32O4Si3/c1-22(2,3)19-15-12-10-14(11-13-15)16(20-23(4,5)6)17(18)21-24(7,8)9/h10-13,16H,1-9H3
InChIKey YPRXSYQBVBCYJZ-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 A0aYPs8hTUi
Name 4-Hydroxymandelic acid, 3TMS
Comments Derivatization type: 3 TMS (mass: 384.161); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000887; 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)19-15-12-10-14(11-13-15)16(20-23(4,5)6)17(18)21-24(7,8)9/h10-13,16H,1-9H3
InChIKey YPRXSYQBVBCYJZ-UHFFFAOYSA-N
Molecular Weight 384.694 g/mol
SMILES c1cc(ccc1C(C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-014i-1970000000-5dcc9d5e72100da713e7
Source of Spectrum FM-2019-887-0
Synonyms 4-Hydroxymandelate, 3TMS 4-Hydroxymandelic acid, 3TMS D-p-hydroxymandelate, 3TMS L-p-hydroxymandelate, 3TMS D-4-hydroxymandelate, 3TMS L-4-hydroxymandelate, 3TMS 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid, 3TMS Trimethylsilyl 2-((trimethylsilyl)oxy)-2-(4-((trimethylsilyl)oxy)phenyl)acetate
Wiley ID 1818553