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4-Chloro-4-propyl-4,5,6,7-tetrahydrothieno[3,2-C]pyridine-5-carboxamide

View entire compound with spectra: 3 NMR, and 1 FTIR

4-Chloro-4-propyl-4,5,6,7-tetrahydrothieno[3,2-C]pyridine-5-carboxamide
SpectraBase Compound ID JsTFAKHs1bW
InChI InChI=1S/C17H19ClN2OS/c1-2-3-15-14-9-11-22-16(14)8-10-20(15)17(21)19-13-6-4-12(18)5-7-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,21)
InChIKey XOKDLWBHZAUWTH-UHFFFAOYSA-N
Mol Weight 334.87 g/mol
Molecular Formula C17H19ClN2OS
Exact Mass 334.090662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CV4a50OTUmD
Name 4-Chloro-4-propyl-4,5,6,7-tetrahydrothieno[3,2-C]pyridine-5-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.090662113 u
Formula C17H19ClN2OS
InChI InChI=1S/C17H19ClN2OS/c1-2-3-15-14-9-11-22-16(14)8-10-20(15)17(21)19-13-6-4-12(18)5-7-13/h4-7,9,11,15H,2-3,8,10H2,1H3,(H,19,21)
InChIKey XOKDLWBHZAUWTH-UHFFFAOYSA-N
Molecular Weight 334.865 g/mol
SMILES N(C1=CC=C(C=C1)Cl)C(N1CCC=2SC=CC2C1CCC)=O