SpectraBase Spectrum ID |
Hr44HU1Y55F |
Name |
benzenemethanamine, 4-(1-methylethyl)-N-[2-nitro-5-[4-(phenylsulfonyl)-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 |
494.198776632 u |
Formula |
C26H30N4O4S |
InChI |
InChI=1S/C26H30N4O4S/c1-20(2)22-10-8-21(9-11-22)19-27-25-18-23(12-13-26(25)30(31)32)28-14-16-29(17-15-28)35(33,34)24-6-4-3-5-7-24/h3-13,18,20,27H,14-17,19H2,1-2H3 |
InChIKey |
MOAKDGUXXBPKHE-UHFFFAOYSA-N |
Molecular Weight |
494.610 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_7075 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10220673; Lab Info: LP; Lab Number: LP-2501147 |
Temperature |
29.85 °C |