SpectraBase Spectrum ID |
K3WL4rFJxnR |
Name |
acetic acid, [[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-, ethyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
410.152495144 u |
Formula |
C20H22N6O2S |
InChI |
InChI=1S/C20H22N6O2S/c1-4-28-18(27)11-29-20-21-16-8-6-5-7-15(16)19-22-17(25-26(19)20)10-9-14-12(2)23-24-13(14)3/h5-8H,4,9-11H2,1-3H3,(H,23,24) |
InChIKey |
WUNLNCYSBDMTFC-UHFFFAOYSA-N |
Molecular Weight |
410.496 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_4236 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13279761 |