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3-pyridinecarboxamide, 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-
SpectraBase Compound ID 1ktCGJxQyrO
InChI InChI=1S/C16H14ClN3OS/c17-14-11(6-4-8-19-14)15(21)20-16-12(9-18)10-5-2-1-3-7-13(10)22-16/h4,6,8H,1-3,5,7H2,(H,20,21)
InChIKey UOZNXXDHMQHJIE-UHFFFAOYSA-N
Mol Weight 331.82 g/mol
Molecular Formula C16H14ClN3OS
Exact Mass 331.054611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8eGLgq9rdJu
Name 3-pyridinecarboxamide, 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.054610956 u
Formula C16H14ClN3OS
InChI InChI=1S/C16H14ClN3OS/c17-14-11(6-4-8-19-14)15(21)20-16-12(9-18)10-5-2-1-3-7-13(10)22-16/h4,6,8H,1-3,5,7H2,(H,20,21)
InChIKey UOZNXXDHMQHJIE-UHFFFAOYSA-N
Molecular Weight 331.821 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3755
Solvent DMSO-d6
Source Vendor ID: NMR/9245444; Lab Info: PNA; Lab Number: PNA-NA00366
Temperature 29.85 °C