SpectraBase Spectrum ID |
DfQH5FVaHH4 |
Name |
2(3H)-benzoxazolone, 5-[[5-amino-3-[4-(1,1-dimethylethyl)phenyl]-1H-pyrazol-1-yl]sulfonyl]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
412.120526310 u |
Formula |
C20H20N4O4S |
InChI |
InChI=1S/C20H20N4O4S/c1-20(2,3)13-6-4-12(5-7-13)15-11-18(21)24(23-15)29(26,27)14-8-9-17-16(10-14)22-19(25)28-17/h4-11H,21H2,1-3H3,(H,22,25) |
InChIKey |
JGTSTWPUEMOIME-UHFFFAOYSA-N |
Molecular Weight |
412.464 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_1953 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12679583 |