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8-Hydroxy-8-(3-octyloxiran-2-yl)octanoic acid, 2tms

View entire compound with spectra: 1 NMR

8-Hydroxy-8-(3-octyloxiran-2-yl)octanoic acid, 2tms
SpectraBase Compound ID 8YjpFcKDLQZ
InChI InChI=1S/C24H50O4Si2/c1-8-9-10-11-12-15-18-21-24(26-21)22(27-29(2,3)4)19-16-13-14-17-20-23(25)28-30(5,6)7/h21-22,24H,8-20H2,1-7H3
InChIKey NOMQANXJKNDPRX-UHFFFAOYSA-N
Mol Weight 458.8 g/mol
Molecular Formula C24H50O4Si2
Exact Mass 458.324763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfDrvJ6YysJ
Name 8-Hydroxy-8-(3-octyloxiran-2-yl)octanoic acid, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 458.324763156 u
Formula C24H50O4Si2
InChI InChI=1S/C24H50O4Si2/c1-8-9-10-11-12-15-18-21-24(26-21)22(27-29(2,3)4)19-16-13-14-17-20-23(25)28-30(5,6)7/h21-22,24H,8-20H2,1-7H3
InChIKey NOMQANXJKNDPRX-UHFFFAOYSA-N
Molecular Weight 458.830 g/mol
SMILES C(CCCCCCC(C1OC1CCCCCCCC)O[Si](C)(C)C)(=O)O[Si](C)(C)C