SpectraBase Spectrum ID |
EvPQCigIT5A |
Name |
benzenemethanamine, 4-(1-methylethyl)-N-[5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitrophenyl]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
432.183126568 u |
Formula |
C21H28N4O4S |
InChI |
InChI=1S/C21H28N4O4S/c1-16(2)18-6-4-17(5-7-18)15-22-20-14-19(8-9-21(20)25(26)27)23-10-12-24(13-11-23)30(3,28)29/h4-9,14,16,22H,10-13,15H2,1-3H3 |
InChIKey |
SBVATGUJBUMCLS-UHFFFAOYSA-N |
Molecular Weight |
432.539 g/mol |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_8940 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9291081; Lab Info: LP; Lab Number: LP-0001038 |