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Mallic acid 2 methyl-(3TMS)
SpectraBase Compound ID C2QXhTKYYqP
InChI InChI=1S/C14H32O5Si3/c1-14(19-22(8,9)10,13(16)18-21(5,6)7)11-12(15)17-20(2,3)4/h11H2,1-10H3
InChIKey PQUDIQABDWAPQW-UHFFFAOYSA-N
Mol Weight 364.7 g/mol
Molecular Formula C14H32O5Si3
Exact Mass 364.155754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mdzJquvQwK
Name 2-Hydroxy-2-methylsuccinic acid 3TMS
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
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Exact Mass 364.155753730 u
Formula C14H32O5Si3
InChI InChI=1S/C14H32O5Si3/c1-14(19-22(8,9)10,13(16)18-21(5,6)7)11-12(15)17-20(2,3)4/h11H2,1-10H3
InChIKey PQUDIQABDWAPQW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 364.660 g/mol
Nominal Mass 364 u
Quality 967
Retention Index 2418
SMILES C(O[Si](C)(C)C)(C(O[Si](C)(C)C)=O)(CC(O[Si](C)(C)C)=O)C
SPLASH splash10-0002-7981000000-d7b2bd85f14990ae16aa
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Citramalicacid,O-trimethylsilyl-,bis(trimethylsilyl) ester bis(trimethylsilyl) 2-methyl-2-((trimethylsilyl)oxy)butanedioate
Technique GC/MS
Wiley ID DD2024_018313