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Benzenepropanoic acid, .alpha.,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
SpectraBase Compound ID K8n05T8yDEa
InChI InChI=1S/C18H34O4Si3/c1-23(2,3)20-16-12-10-15(11-13-16)14-17(21-24(4,5)6)18(19)22-25(7,8)9/h10-13,17H,14H2,1-9H3
InChIKey ZSYIYFFJWIPCPN-UHFFFAOYSA-N
Mol Weight 398.7 g/mol
Molecular Formula C18H34O4Si3
Exact Mass 398.176489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YwIEJgIMOx
Name 4-Hydroxylphenyllactic acid, 3TMS
Comments Derivatization type: 3 TMS (mass: 398.176); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000247; Note: The molecular formula of the structure shown is C9H10O4 - which differs from the formula reported for the mass spectrum (C18H34O4Si3)
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Formula C18H34O4Si3
InChI InChI=1S/C18H34O4Si3/c1-23(2,3)20-16-12-10-15(11-13-16)14-17(21-24(4,5)6)18(19)22-25(7,8)9/h10-13,17H,14H2,1-9H3
InChIKey ZSYIYFFJWIPCPN-UHFFFAOYSA-N
Molecular Weight 398.721 g/mol
SMILES c1cc(ccc1CC(C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-004i-0900000000-1542c056c5e4951645ca
Source of Spectrum FM-2019-247-0
Synonyms HPLA, 3TMS p-Hydroxyphenyllactate, 3TMS 4-Hydroxyphenyllactate, 3TMS 4-Hydroxyphenyllactic acid, 3TMS p-Hydroxyphenyl lactic acid, 3TMS dl-p-Hydroxyphenyllactic acid, 3TMS 2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid, 3TMS Trimethylsilyl 2-((trimethylsilyl)oxy)-3-(4-((trimethylsilyl)oxy)phenyl)propanoate
Wiley ID 1817936