| SpectraBase Spectrum ID |
3oF6pU9Jyv8 |
| Name |
3-thiophenecarboxylic acid, 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]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 |
404.059755905 u |
| Formula |
C19H17ClN2O4S |
| InChI |
InChI=1S/C19H17ClN2O4S/c1-9-11(3)27-18(14(9)19(24)25-4)21-17(23)15-10(2)26-22-16(15)12-7-5-6-8-13(12)20/h5-8H,1-4H3,(H,21,23) |
| InChIKey |
VJCCANZZMZCQQQ-UHFFFAOYSA-N |
| Molecular Weight |
404.868 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12534 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10025432; Lab Info: PNA; Lab Number: PNA-1991954 |
![methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate](/api/spectrum/3oF6pU9Jyv8/structure.png?h=300&w=458 "methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate")
