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KRWQHCPQRCGKJA-HKUYNNGSSA-N
SpectraBase Compound ID 32NNcaDYcvG
InChI InChI=1S/C20H22F3NO3S/c1-3-17(25)19(20(21,22)23,28-16-11-9-14(2)10-12-16)24-18(26)27-13-15-7-5-4-6-8-15/h4-12,17,25H,3,13H2,1-2H3,(H,24,26)/t17-,19-/m0/s1
InChIKey KRWQHCPQRCGKJA-HKUYNNGSSA-N
Mol Weight 413.46 g/mol
Molecular Formula C20H22F3NO3S
Exact Mass 413.127249 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTuWt3V4fh
Name KRWQHCPQRCGKJA-HKUYNNGSSA-N
Compound Number (1-R,2-R)-5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22F3NO3S
InChI InChI=1S/C20H22F3NO3S/c1-3-17(25)19(20(21,22)23,28-16-11-9-14(2)10-12-16)24-18(26)27-13-15-7-5-4-6-8-15/h4-12,17,25H,3,13H2,1-2H3,(H,24,26)/t17-,19-/m0/s1
InChIKey KRWQHCPQRCGKJA-HKUYNNGSSA-N
Literature Reference Author A.VOLONTERIO,B.VERGANI,M.CRUCIANELLI,M.ZANDA,P.BRAVO
Literature Reference Citation J.ORG.CHEM.,63,7236(1998)
Literature Reference DOI 10.1021/jo980602p
Solvent CDCl3
Source File Reference UWMZ26158