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3-chloro-N-(1-pyrrolidinylcarbothioyl)-1-benzothiophene-2-carboxamide

View entire compound with spectra: 2 NMR

3-chloro-N-(1-pyrrolidinylcarbothioyl)-1-benzothiophene-2-carboxamide
SpectraBase Compound ID 9Pqh6g0KeGZ
InChI InChI=1S/C14H13ClN2OS2/c15-11-9-5-1-2-6-10(9)20-12(11)13(18)16-14(19)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8H2,(H,16,18,19)
InChIKey AOFYKSOMQGUWIV-UHFFFAOYSA-N
Mol Weight 324.84 g/mol
Molecular Formula C14H13ClN2OS2
Exact Mass 324.015783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J98LhrcWHOT
Name 3-Chloro-N-(1-pyrrolidinylcarbothioyl)-1-benzothiophene-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.015783094 u
Formula C14H13ClN2OS2
InChI InChI=1S/C14H13ClN2OS2/c15-11-9-5-1-2-6-10(9)20-12(11)13(18)16-14(19)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8H2,(H,16,18,19)
InChIKey AOFYKSOMQGUWIV-UHFFFAOYSA-N
Molecular Weight 324.844 g/mol
SMILES N(C(C=1SC=2C=CC=CC2C1Cl)=O)C(N1CCCC1)=S