SpectraBase Spectrum ID |
L4JPTIf3TXu |
Name |
8,9-dimethoxy-2-(4-nitrophenyl)-5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
585.179438166 u |
Formula |
C29H27N7O5S |
InChI |
InChI=1S/C29H27N7O5S/c1-40-24-16-22-23(17-25(24)41-2)30-29(35-28(22)31-27(32-35)19-8-10-21(11-9-19)36(38)39)42-18-26(37)34-14-12-33(13-15-34)20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3 |
InChIKey |
UKUKRDDIBKUJHB-UHFFFAOYSA-N |
Molecular Weight |
585.639 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_7057 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12329570 |