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JKBARJKZPVJPCY-UHFFFAOYSA-M

View entire compound with spectra: 2 NMR

JKBARJKZPVJPCY-UHFFFAOYSA-M
SpectraBase Compound ID 4WVbvWDeETg
InChI InChI=1S/C18H28Cl4N2O2P.CHF3O3S/c1-9(2)23(10(3)4)27(24(11(5)6)12(7)8)25-17-15(21)13(19)14(20)16(22)18(17)26-27;2-1(3,4)8(5,6)7/h9-12H,1-8H3;(H,5,6,7)/q+1;/p-1
InChIKey JKBARJKZPVJPCY-UHFFFAOYSA-M
Mol Weight 626.3 g/mol
Molecular Formula C19H28Cl4F3N2O5PS
Exact Mass 624.016275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8J3I1JSlsea
Name JKBARJKZPVJPCY-UHFFFAOYSA-M
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28Cl4F3N2O5PS
InChI InChI=1S/C18H28Cl4N2O2P.CHF3O3S/c1-9(2)23(10(3)4)27(24(11(5)6)12(7)8)25-17-15(21)13(19)14(20)16(22)18(17)26-27;2-1(3,4)8(5,6)7/h9-12H,1-8H3;(H,5,6,7)/q+1;/p-1
InChIKey JKBARJKZPVJPCY-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 626.283 g/mol
Sample ID 55031
Solvent CDCl3