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10,12-Docosadiynedioic acid, 2tms derivative

View entire compound with spectra: 1 NMR

10,12-Docosadiynedioic acid, 2tms derivative
SpectraBase Compound ID 8S9NQ544LXB
InChI InChI=1S/C28H50O4Si2/c1-33(2,3)31-27(29)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28(30)32-34(4,5)6/h11-26H2,1-6H3
InChIKey SUPMFZZCWCKIAQ-UHFFFAOYSA-N
Mol Weight 506.9 g/mol
Molecular Formula C28H50O4Si2
Exact Mass 506.324763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DEIM8RKr14
Name 10,12-Docosadiynedioic acid, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 506.324763156 u
Formula C28H50O4Si2
InChI InChI=1S/C28H50O4Si2/c1-33(2,3)31-27(29)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28(30)32-34(4,5)6/h11-26H2,1-6H3
InChIKey SUPMFZZCWCKIAQ-UHFFFAOYSA-N
Molecular Weight 506.874 g/mol
SMILES C(O[Si](C)(C)C)(=O)CCCCCCCCC#CC#CCCCCCCCCC(O[Si](C)(C)C)=O