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XKURAUBFXAPLEA-UHFFFAOYSA-N

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XKURAUBFXAPLEA-UHFFFAOYSA-N
SpectraBase Compound ID 6zA003KPH2d
InChI InChI=1S/C43H36ClN4OP/c1-32-23-29-36(30-24-32)47(43(49)34-25-27-35(44)28-26-34)31-41-33(2)45-48(37-15-7-3-8-16-37)42(41)46-50(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-30H,31H2,1-2H3
InChIKey XKURAUBFXAPLEA-UHFFFAOYSA-N
Mol Weight 691.2 g/mol
Molecular Formula C43H36ClN4OP
Exact Mass 690.231526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1vuJYsHJve
Name XKURAUBFXAPLEA-UHFFFAOYSA-N
Compound Number 576
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H36ClN4OP
InChI InChI=1S/C43H36ClN4OP/c1-32-23-29-36(30-24-32)47(43(49)34-25-27-35(44)28-26-34)31-41-33(2)45-48(37-15-7-3-8-16-37)42(41)46-50(38-17-9-4-10-18-38,39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-30H,31H2,1-2H3
InChIKey XKURAUBFXAPLEA-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 691.212 g/mol
Solvent CDCl3
Source File Reference UWVP1960