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C12 bis diethylphosphonate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

C12 bis diethylphosphonate
SpectraBase Compound ID 8MPdQIPsiZv
InChI InChI=1S/C20H44O6P2/c1-5-23-27(21,24-6-2)19-17-15-13-11-9-10-12-14-16-18-20-28(22,25-7-3)26-8-4/h5-20H2,1-4H3
InChIKey FQOSCOKXLMUKFA-UHFFFAOYSA-N
Mol Weight 442.5 g/mol
Molecular Formula C20H44O6P2
Exact Mass 442.261313 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DaBEsSNvYvB
Name C12 bis Diethylphosphonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.261313127 u
Formula C20H44O6P2
InChI InChI=1S/C20H44O6P2/c1-5-23-27(21,24-6-2)19-17-15-13-11-9-10-12-14-16-18-20-28(22,25-7-3)26-8-4/h5-20H2,1-4H3
InChIKey FQOSCOKXLMUKFA-UHFFFAOYSA-N
Molecular Weight 442.514 g/mol
SMILES C(P(=O)(OCC)OCC)CCCCCCCCCCCP(=O)(OCC)OCC
Spectrum/Structure Validation Score (Raman) 0.82057