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Tetraethyl [2,5-dihexyl-1,4-phenylenebis(methylene)diphosphonate
SpectraBase Compound ID 8hbUf1zn7fI
InChI InChI=1S/C28H52O6P2/c1-7-13-15-17-19-25-21-28(24-36(30,33-11-5)34-12-6)26(20-18-16-14-8-2)22-27(25)23-35(29,31-9-3)32-10-4/h21-22H,7-20,23-24H2,1-6H3
InChIKey RVHOGPUCQJABJM-UHFFFAOYSA-N
Mol Weight 546.7 g/mol
Molecular Formula C28H52O6P2
Exact Mass 546.323913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRtiYqLTK54
Name Tetraethyl [2,5-dihexyl-1,4-phenylenebis(methylene)diphosphonate
Comments Less than 3 mono-isotopic peaks
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Formula C28H52O6P2
InChI InChI=1S/C28H52O6P2/c1-7-13-15-17-19-25-21-28(24-36(30,33-11-5)34-12-6)26(20-18-16-14-8-2)22-27(25)23-35(29,31-9-3)32-10-4/h21-22H,7-20,23-24H2,1-6H3
InChIKey RVHOGPUCQJABJM-UHFFFAOYSA-N
Molecular Weight 546.666 g/mol
SMILES C(P(=O)(OCC)OCC)c1cc(CCCCCC)c(cc1CCCCCC)CP(=O)(OCC)OCC
SPLASH splash10-0002-0000090000-02f28904091a5927f18d
Source of Spectrum U1-2002-3168-0
Wiley ID 1523094