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4-Hydroxymethyl-3-methoxyphenoxyacetic acid, 2TMS
SpectraBase Compound ID KKzVUMZnLkN
InChI InChI=1S/C16H28O5Si2/c1-18-15-10-14(19-12-16(17)21-23(5,6)7)9-8-13(15)11-20-22(2,3)4/h8-10H,11-12H2,1-7H3
InChIKey BLGDFJFZYVYKFX-UHFFFAOYSA-N
Mol Weight 356.57 g/mol
Molecular Formula C16H28O5Si2
Exact Mass 356.147527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OWbJSwMZkd
Name 4-Hydroxymethyl-3-methoxyphenoxyacetic acid, 2TMS
Comments Derivatization type: 2 TMS (mass: 356.148); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000592; Note: The molecular formula of the structure shown is C10H12O5 - which differs from the formula reported for the mass spectrum (C16H28O5Si2)
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Formula C16H28O5Si2
InChI InChI=1S/C16H28O5Si2/c1-18-15-10-14(19-12-16(17)21-23(5,6)7)9-8-13(15)11-20-22(2,3)4/h8-10H,11-12H2,1-7H3
InChIKey BLGDFJFZYVYKFX-UHFFFAOYSA-N
Molecular Weight 356.565 g/mol
SMILES COc1cc(ccc1CO[Si](C)(C)C)OCC(=O)O[Si](C)(C)C
SPLASH splash10-0694-3970000000-0dcfdb63bd1861cba033
Source of Spectrum FM-2019-592-0
Synonyms HMPA, 2TMS 3-M-4-Hmpaa, 2TMS 55708_FLUKA, 2TMS 3-Methoxy-4-hydroxymethylphenoxyacetic acid, 2TMS 4-Hydroxymethyl-3-methoxyphenoxyacetic acid, 2TMS Acetic acid, (4-(hydroxymethyl)-3-methoxyphenoxy)-, 2TMS 2-[4-(hydroxymethyl)-3-methoxyphenoxy]acetic acid, 2TMS Trimethylsilyl 2-(3-methoxy-4-(((trimethylsilyl)oxy)methyl)phenoxy)acetate
Wiley ID 1818273