SpectraBase Spectrum ID |
II4HeRi0JuH |
Name |
pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-bromophenyl)-4,5-dihydro-5-(4-methylphenyl)-4-(2-thienyl)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
449.019746320 u |
Formula |
C22H16BrN3OS |
InChI |
InChI=1S/C22H16BrN3OS/c1-13-4-10-16(11-5-13)26-21(17-3-2-12-28-17)18-19(24-25-20(18)22(26)27)14-6-8-15(23)9-7-14/h2-12,21H,1H3,(H,24,25) |
InChIKey |
HPXZKVGOWVWDKI-UHFFFAOYSA-N |
Molecular Weight |
450.354 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_7387 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13308161 |