SpectraBase Spectrum ID |
J4Ocz6ww9r1 |
Name |
[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-(4-bromophenyl)-4,7-dihydro-5-methyl-2-[[[4-(5-phenyl-1,3,4-oxadiazol-2- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
628.089222860 u |
Formula |
C30H25BrN6O3S |
InChI |
InChI=1S/C30H25BrN6O3S/c1-3-39-28(38)24-18(2)32-29-33-30(36-37(29)25(24)20-13-15-23(31)16-14-20)41-17-19-9-11-22(12-10-19)27-35-34-26(40-27)21-7-5-4-6-8-21/h4-16,25H,3,17H2,1-2H3,(H,32,33,36) |
InChIKey |
KIMSEBCDIYWYKH-UHFFFAOYSA-N |
Molecular Weight |
629.533 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_828 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13239269 |