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3-Hydroxy-2-octylpentanedioic acid, 3tms

View entire compound with spectra: 1 NMR

3-Hydroxy-2-octylpentanedioic acid, 3tms
SpectraBase Compound ID 1gdTOuhHcB3
InChI InChI=1S/C22H48O5Si3/c1-11-12-13-14-15-16-17-19(22(24)27-30(8,9)10)20(25-28(2,3)4)18-21(23)26-29(5,6)7/h19-20H,11-18H2,1-10H3
InChIKey OAOUFBJUTWPPSH-UHFFFAOYSA-N
Mol Weight 476.9 g/mol
Molecular Formula C22H48O5Si3
Exact Mass 476.280954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZP5Mb9Htx6
Name 3-Hydroxy-2-octylpentanedioic acid, 3tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.280954246 u
Formula C22H48O5Si3
InChI InChI=1S/C22H48O5Si3/c1-11-12-13-14-15-16-17-19(22(24)27-30(8,9)10)20(25-28(2,3)4)18-21(23)26-29(5,6)7/h19-20H,11-18H2,1-10H3
InChIKey OAOUFBJUTWPPSH-UHFFFAOYSA-N
Molecular Weight 476.876 g/mol
SMILES C(C(C(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)CCCCCCCC)(=O)O[Si](C)(C)C