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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

Compound with spectra: 2 NMR

(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
Enantiomer InChIKey ZSUFQZNGDIXQAD-LSDHHAIUSA-N

View Spectrum of (3S-TRANS)-1-[3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-6-(PENTAFLUOROETHYL)-2H-1-BENZOPYRAN-4-YL]-PIPERIDIN-2-ONE;FORM-I

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of (3S-TRANS)-1-[3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-6-(PENTAFLUOROETHYL)-2H-1-BENZOPYRAN-4-YL]-PIPERIDIN-2-ONE;FORM-I

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent SOLID-STATE
  • (3S-TRANS)-1-[3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-6-(PENTAFLUOROETHYL)-2H-1-BENZOPYRAN-4-YL]-PIPERIDIN-2-ONE
4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-methoxyphenyl)-10,14-dimethyl-
3,3-Dimethyl-N-tosyl-9-cyano-5-aza-2-oxatricyclo[5.4.0.0(4,6)]undeca-1(11),7,9-triene
4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-10,14-dimethyl-
(+)-CATECHIN-3-O-BETA-D-GLUCO-(6-CINNAMOYL)-PYRANOSIDE
1-METHOXY-4-METHYLESTRA-1,3,5-(10)-TRIENE-12,17-DIONE
7-ETHOXY-5-FORMYL-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER;MAJOR-ROTAMER
cyclohexyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
1-Benzoyl-2-(3-indolyl)-1,2-dihydro-1,5-naphthyridine
3-alpha-Hydroxy-5-alpha-androst-1-en-17-one 2TMS
3beta-Hydroxy-5alpha-androst-1-en-17-one 2TMS
Title Journal or Book Year
NMR and polymorphism of a piperidinone-substituted benzopyran with a fluorinated sidechain Journal of the Chemical Society, Perkin Transactions 2 1997
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