| SpectraBase Spectrum ID |
FTjCqSKeV4H |
| Name |
1-{2-fluoro-4-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]phenyl}azepane |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.173704698 u |
| Formula |
C22H27FN4O4S |
| InChI |
InChI=1S/C22H27FN4O4S/c23-19-16-22(27(28)29)21(17-20(19)24-10-6-1-2-7-11-24)25-12-14-26(15-13-25)32(30,31)18-8-4-3-5-9-18/h3-5,8-9,16-17H,1-2,6-7,10-15H2 |
| InChIKey |
PHTDYGXLLYTXFY-UHFFFAOYSA-N |
| Molecular Weight |
462.540 g/mol |
| NMR Offset |
17.99 |
| NMR Spectrometer Frequency |
500.132 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_5003 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12300794; Lab Info: LIP; Lab Number: LIP-0001740 |
![1-{2-fluoro-4-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]phenyl}azepane](/api/spectrum/FTjCqSKeV4H/structure.png?h=300&w=458 "1-{2-fluoro-4-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]phenyl}azepane")
