| SpectraBase Compound ID | HKdai4puZMX |
|---|---|
| InChI | InChI=1S/C14H14N4O5S/c1-3-23-14(20)10-11(15)17(16-12(10)24-2)13(19)8-4-6-9(7-5-8)18(21)22/h4-7H,3,15H2,1-2H3 |
| InChIKey | SVONNJMSRPTBKC-UHFFFAOYSA-N |
| Mol Weight | 350.35 g/mol |
| Molecular Formula | C14H14N4O5S |
| Exact Mass | 350.068491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DStGnIey6RM |
|---|---|
| Name | 5-AMINO-1-(4-NITROBENZOYL)-3-METHYLSULFANYL-1H-PYRAZOLE-4-CARBOXYLIC-ACID-ETHYLESTER |
| Compound Number | 7C |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C14H14N4O5S/c1-3-23-14(20)10-11(15)17(16-12(10)24-2)13(19)8-4-6-9(7-5-8)18(21)22/h4-7H,3,15H2,1-2H3 |
| InChIKey | SVONNJMSRPTBKC-UHFFFAOYSA-N |
| Literature Reference | M.JOCHHEIM,H.G.KRUG,R.NEIDLEIN,C.KRIEGER HETEROCYCLES,41,1235(1995) |
| Solvent | Chloroform-d |