| SpectraBase Compound ID | IRfHg6MPiqc |
|---|---|
| InChI | InChI=1S/C11H12N2O5S/c1-3-18-11(15)9(12-7(2)14)6-8-4-5-10(19-8)13(16)17/h4-6H,3H2,1-2H3,(H,12,14)/b9-6- |
| InChIKey | NELXODXLVXRTPW-TWGQIWQCSA-N |
| Mol Weight | 284.29 g/mol |
| Molecular Formula | C11H12N2O5S |
| Exact Mass | 284.046693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwFzVD0qcNm |
|---|---|
| Name | Ethyl 2-ethonoylamino-3-(5-nitro-2-thienyl)-2-propenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.046692663 u |
| Formula | C11H12N2O5S |
| InChI | InChI=1S/C11H12N2O5S/c1-3-18-11(15)9(12-7(2)14)6-8-4-5-10(19-8)13(16)17/h4-6H,3H2,1-2H3,(H,12,14)/b9-6- |
| InChIKey | NELXODXLVXRTPW-TWGQIWQCSA-N |
| SMILES | C=1(N(=O)=O)SC(\C=C\(C(=O)OCC)NC(=O)C)=CC1 |