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3,8-PHOSPHONANEDIONE-1-OXIDE-#25
SpectraBase Compound ID Fi5qeP5OMyY
InChI InChI=1S/C14H15Br2O3P/c15-13-6-10(17)8-20(19,9-11(18)7-14(13)16)12-4-2-1-3-5-12/h1-5,13-14H,6-9H2/t13-,14-/m1/s1
InChIKey WCBFKMJSTXCCNW-ZIAGYGMSSA-N
Mol Weight 422.05 g/mol
Molecular Formula C14H15Br2O3P
Exact Mass 419.912557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaXY1FDmihT
Name 3,8-PHOSPHONANEDIONE-1-OXIDE-#25
CAS Registry Number 75531-99-6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15Br2O3P
InChI InChI=1S/C14H15Br2O3P/c15-13-6-10(17)8-20(19,9-11(18)7-14(13)16)12-4-2-1-3-5-12/h1-5,13-14H,6-9H2/t13-,14-/m1/s1
InChIKey WCBFKMJSTXCCNW-ZIAGYGMSSA-N
Literature Reference Author L.D.QUIN,E.D.MIDDLEMAS,N.S.RAO,R.W.MILLER,A.T.MCPHAIL
Literature Reference Citation J.AM.CHEM.SOC.,104,1893(1982)
Literature Reference DOI 10.1021/ja00371a018
Molecular Weight 422.053 g/mol
Solvent DMSO-D6
Source File Reference UWCS2423