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2-Keto-L-gulonic acid, 5tms

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Keto-L-gulonic acid, 5tms
SpectraBase Compound ID J2zgKOWCYWR
InChI InChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)18(22)21(23)28-33(13,14)15/h17,19-20H,16H2,1-15H3/t17-,19+,20+/m0/s1
InChIKey MEGWTTBMNKDSPY-DFQSSKMNSA-N
Mol Weight 555.0 g/mol
Molecular Formula C21H50O7Si5
Exact Mass 554.240287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUTOY9Dsekl
Name 2-Keto-L-gulonic acid, 5tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.240286618 u
Formula C21H50O7Si5
InChI InChI=1S/C21H50O7Si5/c1-29(2,3)24-16-17(25-30(4,5)6)19(26-31(7,8)9)20(27-32(10,11)12)18(22)21(23)28-33(13,14)15/h17,19-20H,16H2,1-15H3/t17-,19+,20+/m0/s1
InChIKey MEGWTTBMNKDSPY-DFQSSKMNSA-N
Molecular Weight 555.049 g/mol
SMILES C([C@@]([C@]([C@@](C(C(O[Si](C)(C)C)=O)=O)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])O[Si](C)(C)C