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(3S-TRANS)-1-[3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-6-(PENTAFLUOROETHYL)-2H-1-BENZOPYRAN-4-YL]-PIPERIDIN-2-ONE;FORM-I
SpectraBase Compound ID 8zzoPVnyB2T
InChI InChI=1S/C18H20F5NO3/c1-16(2)15(26)14(24-8-4-3-5-13(24)25)11-9-10(6-7-12(11)27-16)17(19,20)18(21,22)23/h6-7,9,14-15,26H,3-5,8H2,1-2H3/t14-,15+/m1/s1
InChIKey ZSUFQZNGDIXQAD-CABCVRRESA-N
Mol Weight 393.35 g/mol
Molecular Formula C18H20F5NO3
Exact Mass 393.136334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JF31nVqwhor
Name (3S-TRANS)-1-[3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-6-(PENTAFLUOROETHYL)-2H-1-BENZOPYRAN-4-YL]-PIPERIDIN-2-ONE
Compound Number A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20F5NO3
InChI InChI=1S/C18H20F5NO3/c1-16(2)15(26)14(24-8-4-3-5-13(24)25)11-9-10(6-7-12(11)27-16)17(19,20)18(21,22)23/h6-7,9,14-15,26H,3-5,8H2,1-2H3/t14-,15+/m1/s1
InChIKey ZSUFQZNGDIXQAD-CABCVRRESA-N
Literature Reference Author S.C.CAMPBELL,R.K.HARRIS,M.J.HARDY,D.C.LEE,D.J.BUSBY
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1913(1997)
Literature Reference DOI 10.1039/a703187d
Molecular Weight 393.354 g/mol
Solvent CDCl3
Source File Reference UWRU6300