SpectraBase Spectrum ID |
28JeTlwGkSV |
Name |
3-pyridinecarboxamide, 5-cyano-1,4-dihydro-6-[[2-[(3-methoxyphenyl)amino]-2-oxoethyl]thio]-2-methyl-N-phenyl-4-(2-thienyl)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
516.128982994 u |
Formula |
C27H24N4O3S2 |
InChI |
InChI=1S/C27H24N4O3S2/c1-17-24(26(33)31-18-8-4-3-5-9-18)25(22-12-7-13-35-22)21(15-28)27(29-17)36-16-23(32)30-19-10-6-11-20(14-19)34-2/h3-14,25,29H,16H2,1-2H3,(H,30,32)(H,31,33) |
InChIKey |
QIAXTLOSSRRGFR-UHFFFAOYSA-N |
Molecular Weight |
516.634 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_7287 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10222656; Lab Info: KR; Lab Number: KR-KSG0081 |
Temperature |
23.85 °C |