SpectraBase Spectrum ID |
LiwyusqP7Im |
Name |
3-pyridinecarboxamide, 5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-phenyl- |
Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
538.203862013 u |
Formula |
C31H30N4O3S |
InChI |
InChI=1S/C31H30N4O3S/c1-4-21-14-16-23(17-15-21)34-27(36)19-39-31-24(18-32)29(22-10-6-5-7-11-22)28(20(2)33-31)30(37)35-25-12-8-9-13-26(25)38-3/h5-17,29,33H,4,19H2,1-3H3,(H,34,36)(H,35,37) |
InChIKey |
JNFASAMCNFLUMN-UHFFFAOYSA-N |
Molecular Weight |
538.666 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_6059 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10211930; Lab Info: KR; Lab Number: KR-KSG1G41 |
Temperature |
23.85 °C |