SpectraBase Spectrum ID |
9X4Y3g1LTpK |
Name |
pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[3-(4-bromophenoxy)-5-nitrophenyl]-3-chloro-5-(4-methoxyphenyl)-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 |
660.997543819 u |
Formula |
C27H16BrClF3N5O5 |
InChI |
InChI=1S/C27H16BrClF3N5O5/c1-41-18-6-2-14(3-7-18)21-13-22(27(30,31)32)36-25(34-21)23(29)24(35-36)26(38)33-16-10-17(37(39)40)12-20(11-16)42-19-8-4-15(28)5-9-19/h2-13H,1H3,(H,33,38) |
InChIKey |
MWCQKCMISVQJBD-UHFFFAOYSA-N |
Molecular Weight |
662.807 g/mol |
NMR Offset |
15.0036 |
NMR Spectrometer Frequency |
250.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_3486 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9278641; Lab Number: BAS 1058625 |
Temperature |
23.85 °C |