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1-[m-tolyl(thiocarbamoyl)]-4-piperidinecarboxylic acid, ethyl ester
SpectraBase Compound ID AQ3BfMFjwD1
InChI InChI=1S/C16H22N2O2S/c1-3-20-15(19)13-7-9-18(10-8-13)16(21)17-14-6-4-5-12(2)11-14/h4-6,11,13H,3,7-10H2,1-2H3,(H,17,21)
InChIKey VYXIFHVFUDJZER-UHFFFAOYSA-N
Mol Weight 306.42 g/mol
Molecular Formula C16H22N2O2S
Exact Mass 306.140199 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZbeeSwKUZ7
Name 1-[m-tolyl(thiocarbamoyl)]-4-piperidinecarboxylic acid, ethyl ester
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Formula C16H22N2O2S
InChI InChI=1S/C16H22N2O2S/c1-3-20-15(19)13-7-9-18(10-8-13)16(21)17-14-6-4-5-12(2)11-14/h4-6,11,13H,3,7-10H2,1-2H3,(H,17,21)
InChIKey VYXIFHVFUDJZER-UHFFFAOYSA-N
Instrument Name Varian A-60
Polar Surface Area Predicted 41.57
Sadtler NMR Number 22541M
Solvent CDCl3