SpectraBase Spectrum ID |
HBQb0YVNP9m |
Name |
benzenemethanamine, N-[5-[4-[(3-fluoro-4-methoxyphenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-alpha-methyl- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
514.168619317 u |
Formula |
C25H27FN4O5S |
InChI |
InChI=1S/C25H27FN4O5S/c1-18(19-6-4-3-5-7-19)27-23-16-20(8-10-24(23)30(31)32)28-12-14-29(15-13-28)36(33,34)21-9-11-25(35-2)22(26)17-21/h3-11,16-18,27H,12-15H2,1-2H3 |
InChIKey |
IELTWNYBYJVGSQ-UHFFFAOYSA-N |
Molecular Weight |
514.572 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_17277 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10301873; Lab Info: LP; Lab Number: LP-2101485 |