SpectraBase Spectrum ID |
KgE9kbd79LN |
Name |
3-quinolinecarboxylic acid, 7-[4-[[(1,3-benzodioxol-5-ylcarbonyl)amino]carbonothioyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
526.132233808 u |
Formula |
C25H23FN4O6S |
InChI |
InChI=1S/C25H23FN4O6S/c1-2-28-12-16(24(33)34)22(31)15-10-17(26)19(11-18(15)28)29-5-7-30(8-6-29)25(37)27-23(32)14-3-4-20-21(9-14)36-13-35-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,33,34)(H,27,32,37) |
InChIKey |
RSFZUPOZBXKQNZ-UHFFFAOYSA-N |
Molecular Weight |
526.539 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_17914 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11280261; Lab Info: OBK; Lab Number: OBK-0004281 |