| SpectraBase Spectrum ID |
CNHcZPYIkrH |
| Name |
3-isothiazolecarboxylic acid, 4-amino-5-[[(4-fluorophenyl)amino]carbonyl]-, ethyl 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 |
309.058340592 u |
| Formula |
C13H12FN3O3S |
| InChI |
InChI=1S/C13H12FN3O3S/c1-2-20-13(19)10-9(15)11(21-17-10)12(18)16-8-5-3-7(14)4-6-8/h3-6H,2,15H2,1H3,(H,16,18) |
| InChIKey |
LTKMMGPKZDRINW-UHFFFAOYSA-N |
| Molecular Weight |
309.315 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_655 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12320154; Lab Info: L17,Bogoliubov; Lab Number: NMR/12320154 |
![4-Amino-5-[(4-fluoroanilino)-oxomethyl]-3-isothiazolecarboxylic acid ethyl ester](/api/spectrum/CNHcZPYIkrH/structure.png?h=300&w=458 "4-Amino-5-[(4-fluoroanilino)-oxomethyl]-3-isothiazolecarboxylic acid ethyl ester")
