SpectraBase Spectrum ID |
KknASjVPfqK |
Name |
[1,2,4]triazolo[1,5-c]quinazoline, 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-[[(4-nitrophenyl)methyl]thio]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
459.147744116 u |
Formula |
C23H21N7O2S |
InChI |
InChI=1S/C23H21N7O2S/c1-14-18(15(2)27-26-14)11-12-21-25-22-19-5-3-4-6-20(19)24-23(29(22)28-21)33-13-16-7-9-17(10-8-16)30(31)32/h3-10H,11-13H2,1-2H3,(H,26,27) |
InChIKey |
IMTWETYZYFHSJM-UHFFFAOYSA-N |
Molecular Weight |
459.528 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_4240 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13279765 |