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KIBZVICCIVRTTM-KSSFIOAISA-N
SpectraBase Compound ID 1PUmtmck2zb
InChI InChI=1S/C19H20F3NO3S/c1-13-8-10-16(11-9-13)27-18(14(2)24,19(20,21)22)23-17(25)26-12-15-6-4-3-5-7-15/h3-11,14,24H,12H2,1-2H3,(H,23,25)/t14-,18-/m0/s1
InChIKey KIBZVICCIVRTTM-KSSFIOAISA-N
Mol Weight 399.43 g/mol
Molecular Formula C19H20F3NO3S
Exact Mass 399.111599 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lbsc44IByso
Name KIBZVICCIVRTTM-KSSFIOAISA-N
Compound Number (1-R,2-R)-5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20F3NO3S
InChI InChI=1S/C19H20F3NO3S/c1-13-8-10-16(11-9-13)27-18(14(2)24,19(20,21)22)23-17(25)26-12-15-6-4-3-5-7-15/h3-11,14,24H,12H2,1-2H3,(H,23,25)/t14-,18-/m0/s1
InChIKey KIBZVICCIVRTTM-KSSFIOAISA-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 UWMZ26156