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PFPQQLDDZAWFCR-UHFFFAOYSA-M

View entire compound with spectra: 2 NMR

PFPQQLDDZAWFCR-UHFFFAOYSA-M
SpectraBase Compound ID Byt8uFY2gd1
InChI InChI=1S/C37H72Cl4N6O2P2SSi.CHF3O3S/c1-22(2)44(23(3)4)50(52,45(24(5)6)25(7)8)21-42-43-51(46(26(9)10)27(11)12,47(28(13)14)29(15)16)48-36-34(40)32(38)33(39)35(41)37(36)49-53(30(17)18)31(19)20;2-1(3,4)8(5,6)7/h21-31,53H,1-20H3;(H,5,6,7)/q+2;/p-1
InChIKey PFPQQLDDZAWFCR-UHFFFAOYSA-M
Mol Weight 1046.0 g/mol
Molecular Formula C38H72Cl4F3N6O5P2S2Si
Exact Mass 1043.295633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdmZKtflqMy
Name PFPQQLDDZAWFCR-UHFFFAOYSA-M
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H72Cl4F3N6O5P2S2Si
InChI InChI=1S/C37H72Cl4N6O2P2SSi.CHF3O3S/c1-22(2)44(23(3)4)50(52,45(24(5)6)25(7)8)21-42-43-51(46(26(9)10)27(11)12,47(28(13)14)29(15)16)48-36-34(40)32(38)33(39)35(41)37(36)49-53(30(17)18)31(19)20;2-1(3,4)8(5,6)7/h21-31,53H,1-20H3;(H,5,6,7)/q+2;/p-1
InChIKey PFPQQLDDZAWFCR-UHFFFAOYSA-M
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 1045.987 g/mol
Sample ID 55026
Solvent CDCl3