| SpectraBase Compound ID | JuohqAXpumo |
|---|---|
| InChI | InChI=1S/C12H10N2O2S/c1-16-12(15)10-5-3-2-4-8(10)6-9(7-13)11(14)17/h2-6H,1H3,(H2,14,17)/b9-6+ |
| InChIKey | SITQZOJKOZKYKD-RMKNXTFCSA-N |
| Mol Weight | 246.28 g/mol |
| Molecular Formula | C12H10N2O2S |
| Exact Mass | 246.046299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GsrLRbNr29 |
|---|---|
| Name | 2-(Methoxycarbonyl)-.alpha.-cyano(thio)cinnamyl-amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.046298742 u |
| Formula | C12H10N2O2S |
| InChI | InChI=1S/C12H10N2O2S/c1-16-12(15)10-5-3-2-4-8(10)6-9(7-13)11(14)17/h2-6H,1H3,(H2,14,17)/b9-6+ |
| InChIKey | SITQZOJKOZKYKD-RMKNXTFCSA-N |
| Molecular Weight | 246.284 g/mol |
| SMILES | C=1(\C=C\(C(=S)N)C#N)C(C(=O)OC)=CC=CC1 |