SpectraBase Spectrum ID |
3KAHQrabEWq |
Name |
6-{[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl}-3,4-dihydro-2(1H)-quinolinone |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
399.161662848 u |
Formula |
C21H25N3O3S |
InChI |
InChI=1S/C21H25N3O3S/c1-15-3-4-16(2)20(13-15)23-9-11-24(12-10-23)28(26,27)18-6-7-19-17(14-18)5-8-21(25)22-19/h3-4,6-7,13-14H,5,8-12H2,1-2H3,(H,22,25) |
InChIKey |
YBXLNNWRQLRRSJ-UHFFFAOYSA-N |
Molecular Weight |
399.509 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_2813 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12288048 |