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3,5-Dihydroxyphenylglycine, 3TMS
SpectraBase Compound ID CqdjOmtaSwa
InChI InChI=1S/C17H33NO4Si3/c1-23(2,3)20-14-10-13(11-15(12-14)21-24(4,5)6)16(18)17(19)22-25(7,8)9/h10-12,16H,18H2,1-9H3
InChIKey SQFYWAWFKSSDRD-UHFFFAOYSA-N
Mol Weight 399.7 g/mol
Molecular Formula C17H33NO4Si3
Exact Mass 399.171738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JB5i9Zpm3OU
Name 3,5-Dihydroxyphenylglycine, 3TMS
Alternate Name(s) 3,5-Dhpg, 3TMS 3,5-Dihydroxyphenylglycine, 3TMS NCGC00024545-02, 3TMS alpha-Amino-3,5-dihydroxybenzeneacetic acid, 3TMS Benzeneacetic acid, alpha-amino-3,5-dihydroxy-, 3TMS 146255-66-5, 3TMS 2-Amino-2-(3,5-dihydroxyphenyl)acetic acid, 3TMS Trimethylsilyl 2-amino-2-(3,5-bis((trimethylsilyl)oxy)phenyl)acetate
Comments Derivatization type: 3 TMS (mass: 399.172); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000746; Note: The molecular formula of the structure shown is C8H9NO4 - which differs from the formula reported for the mass spectrum (C17H33NO4Si3)
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Formula C17H33NO4Si3
InChI InChI=1S/C17H33NO4Si3/c1-23(2,3)20-14-10-13(11-15(12-14)21-24(4,5)6)16(18)17(19)22-25(7,8)9/h10-12,16H,18H2,1-9H3
InChIKey SQFYWAWFKSSDRD-UHFFFAOYSA-N
Molecular Weight 399.709 g/mol
SMILES NC(c1cc(cc(c1)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
SPLASH splash10-001i-0490000000-40b46fa18de1089c93c8
Source of Spectrum FM-2019-746-0
Wiley ID 1818422