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HLAQLDRTHKGDMI-UHFFFAOYSA-M

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HLAQLDRTHKGDMI-UHFFFAOYSA-M
SpectraBase Compound ID JPizG2pu93z
InChI InChI=1S/C20H31FN2O4.CHF3O3S.K/c21-20-18-2-1-3-19(20)17-23-6-10-26-14-12-24-8-4-22(16-18)5-9-25-13-15-27-11-7-23;2-1(3,4)8(5,6)7;/h1-3H,4-17H2;(H,5,6,7);/q;;+1/p-1
InChIKey HLAQLDRTHKGDMI-UHFFFAOYSA-M
Mol Weight 570.64 g/mol
Molecular Formula C21H31F4KN2O7S
Exact Mass 570.142517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKsIvUOkhVo
Name HLAQLDRTHKGDMI-UHFFFAOYSA-M
Compound Number FN2O4.KSO3CF3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31F4KN2O7S
InChI InChI=1S/C20H31FN2O4.CHF3O3S.K/c21-20-18-2-1-3-19(20)17-23-6-10-26-14-12-24-8-4-22(16-18)5-9-25-13-15-27-11-7-23;2-1(3,4)8(5,6)7;/h1-3H,4-17H2;(H,5,6,7);/q;;+1/p-1
InChIKey HLAQLDRTHKGDMI-UHFFFAOYSA-M
Literature Reference Author H.PLENIO,R.DIODONE
Literature Reference Citation J.AM.CHEM.SOC.,118,356(1996)
Literature Reference DOI 10.1021/ja952928a
Molecular Weight 570.638 g/mol
Sample ID 57198
Solvent CD3CN