SpectraBase Spectrum ID |
2OnjAtKOzC |
Name |
pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-[3-[(4-bromophenyl)thio]-5-nitrophenyl]-5-(4-methylphenyl)-7-(trifluoromethyl)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
627.018758087 u |
Formula |
C27H17BrF3N5O3S |
InChI |
InChI=1S/C27H17BrF3N5O3S/c1-15-2-4-16(5-3-15)23-13-24(27(29,30)31)35-25(34-23)22(14-32-35)26(37)33-18-10-19(36(38)39)12-21(11-18)40-20-8-6-17(28)7-9-20/h2-14H,1H3,(H,33,37) |
InChIKey |
JKJUUNMQLWLSDH-UHFFFAOYSA-N |
Molecular Weight |
628.424 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_3064 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9258434; Lab Info: *1059124*; Lab Number: BAS 1059124 |
Temperature |
23.85 °C |