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Di(2-ethylhexyl)sebacate + cresyldiphenylphosphate mixture 1:1
SpectraBase Compound ID 2woqmRsMpem
InChI InChI=1S/C26H50O4.C19H17O4P/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2;1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h23-24H,5-22H2,1-4H3;2-15H,1H3
InChIKey WKBGACIYHMNXOV-UHFFFAOYSA-N
Mol Weight 767.0 g/mol
Molecular Formula C45H67O8P
Exact Mass 766.457356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IX3YKGosOeW
Name di(2-Ethylhexyl)sebacate + cresyldiphenylphosphate mixture 1:1
Comments Computed using HOSE algorithm
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Exact Mass 766.457356107 u
Formula C45H67O8P
InChI InChI=1S/C26H50O4.C19H17O4P/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2;1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h23-24H,5-22H2,1-4H3;2-15H,1H3
InChIKey WKBGACIYHMNXOV-UHFFFAOYSA-N
Molecular Weight 766.997 g/mol
Nominal Mass 766 u
SMILES C(CCC(COC(=O)CCCCCCCCC(=O)OCC(CCCC)CC)CC)C.C1(OP(OC2=CC=C(C=C2)C)(OC2=CC=CC=C2)=O)=CC=CC=C1