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CIS/TRANS-2-(2,4-DIMETHYLPYRAZOL-1-YL)-2-OXO-4-CHLOROMETHYL-1,3,2-DIOXAPHOSPHORINANE
SpectraBase Compound ID E7w5KAkTejO
InChI InChI=1S/2C9H14ClN2O3P/c2*1-7-5-8(2)12(11-7)16(13)14-4-3-9(6-10)15-16/h2*5,9H,3-4,6H2,1-2H3/t9-,16+;9-,16-/m00/s1
InChIKey UFTMGARHWCDIRJ-QYQULXSBSA-N
Mol Weight 529.3 g/mol
Molecular Formula C18H28Cl2N4O6P2
Exact Mass 528.086114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DVAkne5QgP
Name CIS/TRANS-2-(2,4-DIMETHYLPYRAZOL-1-YL)-2-OXO-4-CHLOROMETHYL-1,3,2-DIOXAPHOSPHORINANE
Compound Number XVI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28Cl2N4O6P2
InChI InChI=1S/2C9H14ClN2O3P/c2*1-7-5-8(2)12(11-7)16(13)14-4-3-9(6-10)15-16/h2*5,9H,3-4,6H2,1-2H3/t9-,16+;9-,16-/m00/s1
InChIKey UFTMGARHWCDIRJ-QYQULXSBSA-N
Literature Reference Author A.M.KOROTEEV,G.B.KRASNOV,M.P.KOROTEEV,E.E.NIFANTYEV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,601(2003)
Literature Reference DOI 10.1023/A:1026080422837
Molecular Weight 529.297 g/mol
Solvent C6D6
Source File Reference UWMZ21634