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Aconitic acid 2TMS
SpectraBase Compound ID IV0vdSaWRVv
InChI InChI=1S/C14H26O6Si2/c1-8-18-14(17)11(9-12(15)19-21(2,3)4)10-13(16)20-22(5,6)7/h9H,8,10H2,1-7H3/b11-9+
InChIKey BNWSOHLFGAHHKT-PKNBQFBNSA-N
Mol Weight 346.53 g/mol
Molecular Formula C14H26O6Si2
Exact Mass 346.126792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG4Ab5L18GO
Name Aconitic acid 2TMS
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 346.126791621 u
Formula C14H26O6Si2
InChI InChI=1S/C14H26O6Si2/c1-8-18-14(17)11(9-12(15)19-21(2,3)4)10-13(16)20-22(5,6)7/h9H,8,10H2,1-7H3/b11-9+
InChIKey BNWSOHLFGAHHKT-PKNBQFBNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 346.526 g/mol
Nominal Mass 346 u
Quality 1000
Retention Index 2332
SMILES C(\C=C/(CC(O[Si](C)(C)C)=O)C(OCC)=O)(O[Si](C)(C)C)=O
SPLASH splash10-0092-6951000000-320b0ecbf726ef3e03da
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms prop-1-ene-1,2,3-tricarboxylic acid
Technique GC/MS
Wiley ID DD2024_032754