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1,2-Dihydroxyheptadec-16-yn-4-yl acetate, 2tms

View entire compound with spectra: 1 NMR

1,2-Dihydroxyheptadec-16-yn-4-yl acetate, 2tms
SpectraBase Compound ID 5ESHjTixjuG
InChI InChI=1S/C25H50O4Si2/c1-9-10-11-12-13-14-15-16-17-18-19-20-24(28-23(2)26)21-25(29-31(6,7)8)22-27-30(3,4)5/h1,24-25H,10-22H2,2-8H3
InChIKey IIEGPGCWLUSRBH-UHFFFAOYSA-N
Mol Weight 470.8 g/mol
Molecular Formula C25H50O4Si2
Exact Mass 470.324763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDiANb09HJI
Name 1,2-Dihydroxyheptadec-16-yn-4-yl acetate, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 470.324763156 u
Formula C25H50O4Si2
InChI InChI=1S/C25H50O4Si2/c1-9-10-11-12-13-14-15-16-17-18-19-20-24(28-23(2)26)21-25(29-31(6,7)8)22-27-30(3,4)5/h1,24-25H,10-22H2,2-8H3
InChIKey IIEGPGCWLUSRBH-UHFFFAOYSA-N
Molecular Weight 470.841 g/mol
SMILES C(C)(=O)OC(CCCCCCCCCCCC#C)CC(CO[Si](C)(C)C)O[Si](C)(C)C