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 |