SpectraBase Spectrum ID |
FJXcOZoPOH5 |
Name |
1-butanone, 1-[3-fluoro-4-[4-[(4-methylphenyl)sulfonyl]-1-piperazinyl]phenyl]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.156992007 u |
Formula |
C21H25FN2O3S |
InChI |
InChI=1S/C21H25FN2O3S/c1-3-4-21(25)17-7-10-20(19(22)15-17)23-11-13-24(14-12-23)28(26,27)18-8-5-16(2)6-9-18/h5-10,15H,3-4,11-14H2,1-2H3 |
InChIKey |
FKHYKZVXCQQVNC-UHFFFAOYSA-N |
Molecular Weight |
404.500 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_11432 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10261184; Lab Info: LIP; Lab Number: 31 |