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CIQGEDRALICXIX-MJGOQNOKSA-N

View entire compound with spectra: 1 NMR

CIQGEDRALICXIX-MJGOQNOKSA-N
SpectraBase Compound ID Ide2gyjGSUt
InChI InChI=1S/C20H20F3NO3S/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/h3-12,17,25H,1,13H2,2H3,(H,24,26)/t17-,19+/m1/s1
InChIKey CIQGEDRALICXIX-MJGOQNOKSA-N
Mol Weight 411.44 g/mol
Molecular Formula C20H20F3NO3S
Exact Mass 411.111599 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PiX9U2Og7Q
Name CIQGEDRALICXIX-MJGOQNOKSA-N
Compound Number (1-S,2-R)-5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20F3NO3S
InChI InChI=1S/C20H20F3NO3S/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/h3-12,17,25H,1,13H2,2H3,(H,24,26)/t17-,19+/m1/s1
InChIKey CIQGEDRALICXIX-MJGOQNOKSA-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 UWMZ26159