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QNDODTCDVWZUID-UHFFFAOYSA-N
SpectraBase Compound ID 4anbvA4WaMs
InChI InChI=1S/C31H56Cl4N6O2P2S/c1-17(2)38(18(3)4)44(46,39(19(5)6)20(7)8)31-36-43-30-28(35)26(33)25(32)27(34)29(30)42-45(43,37-31,40(21(9)10)22(11)12)41(23(13)14)24(15)16/h17-24H,1-16H3
InChIKey QNDODTCDVWZUID-UHFFFAOYSA-N
Mol Weight 780.6 g/mol
Molecular Formula C31H56Cl4N6O2P2S
Exact Mass 778.241481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeSOz1YpM0O
Name QNDODTCDVWZUID-UHFFFAOYSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H56Cl4N6O2P2S
InChI InChI=1S/C31H56Cl4N6O2P2S/c1-17(2)38(18(3)4)44(46,39(19(5)6)20(7)8)31-36-43-30-28(35)26(33)25(32)27(34)29(30)42-45(43,37-31,40(21(9)10)22(11)12)41(23(13)14)24(15)16/h17-24H,1-16H3
InChIKey QNDODTCDVWZUID-UHFFFAOYSA-N
Literature Reference Author N.DUBAU-ASSIBAT,A.BACEIREDO,G.BERTRAND
Literature Reference Citation J.AM.CHEM.SOC.,118,5216(1996)
Literature Reference DOI 10.1021/ja960491g
Molecular Weight 780.644 g/mol
Sample ID 55024
Solvent CDCl3