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1,4-Dihydroxy-2-naphtoic acid, 3TMS
SpectraBase Compound ID CxspZgxvUGr
InChI InChI=1S/C20H32O4Si3/c1-25(2,3)22-18-14-17(20(21)24-27(7,8)9)19(23-26(4,5)6)16-13-11-10-12-15(16)18/h10-14H,1-9H3
InChIKey MXUSWMFNWZLEER-UHFFFAOYSA-N
Mol Weight 420.7 g/mol
Molecular Formula C20H32O4Si3
Exact Mass 420.160839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UNBvpTZye2
Name 1,4-Dihydroxy-2-naphtoic acid, 3TMS
Comments Derivatization type: 3 TMS (mass: 420.161); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000191; Note: The molecular formula of the structure shown is C11H8O4 - which differs from the formula reported for the mass spectrum (C20H32O4Si3)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4Si3
InChI InChI=1S/C20H32O4Si3/c1-25(2,3)22-18-14-17(20(21)24-27(7,8)9)19(23-26(4,5)6)16-13-11-10-12-15(16)18/h10-14H,1-9H3
InChIKey MXUSWMFNWZLEER-UHFFFAOYSA-N
Molecular Weight 420.727 g/mol
SMILES c1ccc2c(c1)c(cc(c2O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0a4i-0941500000-d9b10201a9af0db00cda
Source of Spectrum FM-2019-191-0
Synonyms 1,4-Dihydroxy-2-naphthoic acid, 3TMS 1,4-Dihydroxy-2-naphthoate, 3TMS DIHYDROXYNAPHTHOATE, 3TMS CBMicro_022187, 3TMS 281255_ALDRICH, 3TMS STOCK1N-27528, 3TMS 1,4-Dihydroxynaphthalene-2-carboxylic acid, 3TMS Trimethylsilyl 1,4-bis((trimethylsilyl)oxy)-2-naphthoate
Wiley ID 1817882