| SpectraBase Compound ID | 3MAcYh2c76Y |
|---|---|
| InChI | InChI=1S/C13H17N3O4S/c1-4-20-13(17)15-12(21)14-9-5-6-10(8(2)3)11(7-9)16(18)19/h5-8H,4H2,1-3H3,(H2,14,15,17,21) |
| InChIKey | MACWXYZMQBZGDA-UHFFFAOYSA-N |
| Mol Weight | 311.36 g/mol |
| Molecular Formula | C13H17N3O4S |
| Exact Mass | 311.093977 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35qWdRyAnuK |
|---|---|
| Name | 4-(3-nitro-p-cumenyl)-3-thioallophanic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17N3O4S |
| InChI | InChI=1S/C13H17N3O4S/c1-4-20-13(17)15-12(21)14-9-5-6-10(8(2)3)11(7-9)16(18)19/h5-8H,4H2,1-3H3,(H2,14,15,17,21) |
| InChIKey | MACWXYZMQBZGDA-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 30585M |
| Solvent | CDCl3 |