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FRCAKPLDVQMMHJ-UHFFFAOYSA-N

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FRCAKPLDVQMMHJ-UHFFFAOYSA-N
SpectraBase Compound ID K5o3jeOELuJ
InChI InChI=1S/C21H30ClN4O9P/c1-21(2,3)35-20(30)26-16-12-34-36(31,32-10-13-5-7-14(22)8-6-13)33-11-15(18(28)23-4)25-17(27)9-24-19(16)29/h5-8,15-16H,9-12H2,1-4H3,(H,23,28)(H,24,29)(H,25,27)(H,26,30)
InChIKey FRCAKPLDVQMMHJ-UHFFFAOYSA-N
Mol Weight 548.92 g/mol
Molecular Formula C21H30ClN4O9P
Exact Mass 548.143893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBYYMl0Nlxg
Name FRCAKPLDVQMMHJ-UHFFFAOYSA-N
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30ClN4O9P
InChI InChI=1S/C21H30ClN4O9P/c1-21(2,3)35-20(30)26-16-12-34-36(31,32-10-13-5-7-14(22)8-6-13)33-11-15(18(28)23-4)25-17(27)9-24-19(16)29/h5-8,15-16H,9-12H2,1-4H3,(H,23,28)(H,24,29)(H,25,27)(H,26,30)
InChIKey FRCAKPLDVQMMHJ-UHFFFAOYSA-N
Literature Reference Author A.H.VANOIJEN,S.BEHRENS,D.F.MIERKE,H.KESSLER,J.H.VANBOOM,R.M. J.LISKAMP
Literature Reference Citation J.ORG.CHEM.,58,3722(1993)
Literature Reference DOI 10.1021/jo00066a026
Molecular Weight 548.917 g/mol
Solvent CDCl3
Source File Reference UWCS19279