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4-piperidinecarboxamide, 1-[[(1E)-5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1H-inden-3-yl]acetyl]-

View entire compound with spectra: 2 NMR

4-piperidinecarboxamide, 1-[[(1E)-5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1H-inden-3-yl]acetyl]-
SpectraBase Compound ID DoPNsC2iF3E
InChI InChI=1S/C26H27FN2O3S/c1-16-22(13-17-3-6-20(7-4-17)33(2)32)21-8-5-19(27)14-24(21)23(16)15-25(30)29-11-9-18(10-12-29)26(28)31/h3-8,13-14,18H,9-12,15H2,1-2H3,(H2,28,31)/b22-13+
InChIKey KDDQUICQODOTCV-LPYMAVHISA-N
Mol Weight 466.57 g/mol
Molecular Formula C26H27FN2O3S
Exact Mass 466.172642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBIUyk8P3CM
Name 4-Piperidinecarboxamide, 1-[[(1E)-5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1H-inden-3-yl]acetyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.172642071 u
Formula C26H27FN2O3S
InChI InChI=1S/C26H27FN2O3S/c1-16-22(13-17-3-6-20(7-4-17)33(2)32)21-8-5-19(27)14-24(21)23(16)15-25(30)29-11-9-18(10-12-29)26(28)31/h3-8,13-14,18H,9-12,15H2,1-2H3,(H2,28,31)/b22-13+
InChIKey KDDQUICQODOTCV-LPYMAVHISA-N
Molecular Weight 466.571 g/mol
SMILES NC(C1CCN(C(CC2=C(\C(=C/C=3C=CC(S(=O)C)=CC3)C=3C2=CC(=CC3)F)C)=O)CC1)=O