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3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide

View entire compound with spectra: 2 NMR

3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
SpectraBase Compound ID 4WWvmPmaVkT
InChI InChI=1S/C15H14ClN3OS/c16-13-11-4-1-2-5-12(11)21-14(13)15(20)18-6-3-8-19-9-7-17-10-19/h1-2,4-5,7,9-10H,3,6,8H2,(H,18,20)
InChIKey NSZMAPXYHRDBAA-UHFFFAOYSA-N
Mol Weight 319.81 g/mol
Molecular Formula C15H14ClN3OS
Exact Mass 319.054611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25her5f2aTy
Name 3-Chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.054610956 u
Formula C15H14ClN3OS
InChI InChI=1S/C15H14ClN3OS/c16-13-11-4-1-2-5-12(11)21-14(13)15(20)18-6-3-8-19-9-7-17-10-19/h1-2,4-5,7,9-10H,3,6,8H2,(H,18,20)
InChIKey NSZMAPXYHRDBAA-UHFFFAOYSA-N
Molecular Weight 319.810 g/mol
SMILES N(C(C=1SC=2C=CC=CC2C1Cl)=O)CCCN1C=NC=C1