SpectraBase Spectrum ID |
FqnXFcJWdoT |
Name |
3-thiophenecarboxylic acid, 2-[[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino]-4,5-dimethyl-, methyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
403.075740323 u |
Formula |
C19H18ClN3O3S |
InChI |
InChI=1S/C19H18ClN3O3S/c1-10-12(3)27-18(14(10)19(25)26-4)21-17(24)15-11(2)22-23(16(15)20)13-8-6-5-7-9-13/h5-9H,1-4H3,(H,21,24) |
InChIKey |
QBSWQLWTGFXFTF-UHFFFAOYSA-N |
Molecular Weight |
403.884 g/mol |
NMR Offset |
16.0087 |
NMR Spectrometer Frequency |
500.133 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_4232 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/9036707; Lab Info: BOS; Lab Number: BOS-mmy0021 |