| SpectraBase Compound ID | 4Rla4BXTCuv |
|---|---|
| InChI | InChI=1S/C13H13NO5/c1-3-17-13(16)10(7-14)6-11-4-5-12(19-11)8-18-9(2)15/h4-6H,3,8H2,1-2H3 |
| InChIKey | HNRXSINRHJRIIQ-UHFFFAOYSA-N |
| Mol Weight | 263.25 g/mol |
| Molecular Formula | C13H13NO5 |
| Exact Mass | 263.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A14jjHFabF0 |
|---|---|
| Name | alpha-Cyano-5-(hydroxymethyl)-2-furanacrylic acid, ethyl ester, acetate (ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.079372518 u |
| Formula | C13H13NO5 |
| InChI | InChI=1S/C13H13NO5/c1-3-17-13(16)10(7-14)6-11-4-5-12(19-11)8-18-9(2)15/h4-6H,3,8H2,1-2H3 |
| InChIKey | HNRXSINRHJRIIQ-UHFFFAOYSA-N |
| Molecular Weight | 263.249 g/mol |
| SMILES | C1=C(OC(=C1)C=C(C(OCC)=O)C#N)COC(C)=O |