![methyl 4-{5-[(1Z)-3-amino-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoate](/api/spectrum/CRoWCQETBdR/structure.png?h=300&w=458 "methyl 4-{5-[(1Z)-3-amino-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoate")
| SpectraBase Compound ID | EGu4gzbMPbw |
|---|---|
| InChI | InChI=1S/C16H12N2O4/c1-21-16(20)11-4-2-10(3-5-11)14-7-6-13(22-14)8-12(9-17)15(18)19/h2-8H,1H3,(H2,18,19)/b12-8- |
| InChIKey | IROARFBYJUZQHV-WQLSENKSSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C16H12N2O4 |
| Exact Mass | 296.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRoWCQETBdR |
|---|---|
| Name | Methyl 4-{5-[(1Z)-3-amino-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.079706870 u |
| Formula | C16H12N2O4 |
| InChI | InChI=1S/C16H12N2O4/c1-21-16(20)11-4-2-10(3-5-11)14-7-6-13(22-14)8-12(9-17)15(18)19/h2-8H,1H3,(H2,18,19)/b12-8- |
| InChIKey | IROARFBYJUZQHV-WQLSENKSSA-N |
| SMILES | NC(\C(=C/C=1OC(C2=CC=C(C(=O)OC)C=C2)=CC1)C#N)=O |