SpectraBase Spectrum ID |
6YSXqfNMwvc |
Name |
3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(3,4-dimethylphenyl)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
446.198776632 u |
Formula |
C22H30N4O4S |
InChI |
InChI=1S/C22H30N4O4S/c1-15-8-9-19(13-16(15)2)23-22(27)18-7-6-11-26(14-18)31(28,29)21-17(3)24-30-20(21)10-12-25(4)5/h8-10,12-13,18H,6-7,11,14H2,1-5H3,(H,23,27)/b12-10+ |
InChIKey |
HQPHGRNBCXHSTK-ZRDIBKRKSA-N |
Molecular Weight |
446.566 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_4688 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13288337 |