| SpectraBase Compound ID | 9qcyw6HJAlR |
|---|---|
| InChI | InChI=1S/C12H16N4O4S/c17-11(9-7-10(16(19)20)21-8-9)13-12(18)14-15-5-3-1-2-4-6-15/h7-8H,1-6H2,(H2,13,14,17,18) |
| InChIKey | VOWRYXVNCWFEPU-UHFFFAOYSA-N |
| Mol Weight | 312.34 g/mol |
| Molecular Formula | C12H16N4O4S |
| Exact Mass | 312.089226 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAdZN7tbNa4 |
|---|---|
| Name | 1-(hexahydro-1H-azepin-1-yl)-3-(5-nitro-3-thenoyl)urea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16N4O4S |
| InChI | InChI=1S/C12H16N4O4S/c17-11(9-7-10(16(19)20)21-8-9)13-12(18)14-15-5-3-1-2-4-6-15/h7-8H,1-6H2,(H2,13,14,17,18) |
| InChIKey | VOWRYXVNCWFEPU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56002M |
| Solvent | Polysol |