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PMWCHSDZNDAEPN-UNLLECTCSA-M

View entire compound with spectra: 2 NMR

PMWCHSDZNDAEPN-UNLLECTCSA-M
SpectraBase Compound ID 8HKK0ybI0bP
InChI InChI=1S/C20H22N.CHF3O3S/c1-20(2,3)21(4)14-19-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)19;2-1(3,4)8(5,6)7/h5-14H,1-4H3;(H,5,6,7)/q+1;/p-1/b21-14+;
InChIKey PMWCHSDZNDAEPN-UNLLECTCSA-M
Mol Weight 425.47 g/mol
Molecular Formula C21H22F3NO3S
Exact Mass 425.127249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4M72BBlOl6d
Name PMWCHSDZNDAEPN-UNLLECTCSA-M
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22F3NO3S
InChI InChI=1S/C20H22N.CHF3O3S/c1-20(2,3)21(4)14-19-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)19;2-1(3,4)8(5,6)7/h5-14H,1-4H3;(H,5,6,7)/q+1;/p-1/b21-14+;
InChIKey PMWCHSDZNDAEPN-UNLLECTCSA-M
Literature Reference Author X.CATTOEN,H.GORNITZKA,D.BOURISSOU,G.BERTRAND
Literature Reference Citation J.AM.CHEM.SOC.,126,1342(2004)
Literature Reference DOI 10.1021/ja0396854
Molecular Weight 425.466 g/mol
Solvent CD3CN
Source File Reference UWSI27214