| SpectraBase Compound ID | AiWSfKvOwYc |
|---|---|
| InChI | InChI=1S/C14H15N3O3S/c1-3-20-14(19)10-11(15)17(16-12(10)21-2)13(18)9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3 |
| InChIKey | QGAXCECQXSSMAI-UHFFFAOYSA-N |
| Mol Weight | 305.35 g/mol |
| Molecular Formula | C14H15N3O3S |
| Exact Mass | 305.083413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTVj6kbwYTg |
|---|---|
| Name | 5-AMINO-1-BENZOYL-3-METHYLSULFANYL-1H-PYRAZOLE-4-CARBOXYLIC-ACID-ETHYLESTER |
| Compound Number | 7A |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C14H15N3O3S/c1-3-20-14(19)10-11(15)17(16-12(10)21-2)13(18)9-7-5-4-6-8-9/h4-8H,3,15H2,1-2H3 |
| InChIKey | QGAXCECQXSSMAI-UHFFFAOYSA-N |
| Literature Reference | M.JOCHHEIM,H.G.KRUG,R.NEIDLEIN,C.KRIEGER HETEROCYCLES,41,1235(1995) |
| Solvent | Chloroform-d |