| SpectraBase Compound ID | 6nYjB2qqDvV |
|---|---|
| InChI | InChI=1S/C15H17NO5/c1-5-21-15(17)11(9-16)6-10-7-13(19-3)14(20-4)8-12(10)18-2/h6-8H,5H2,1-4H3 |
| InChIKey | JNRMJRJOIFQHGX-UHFFFAOYSA-N |
| Mol Weight | 291.3 g/mol |
| Molecular Formula | C15H17NO5 |
| Exact Mass | 291.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73NABbjvErt |
|---|---|
| Name | alpha-Cyano-2,4,5-trimethoxycinnamic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.110672646 u |
| Formula | C15H17NO5 |
| InChI | InChI=1S/C15H17NO5/c1-5-21-15(17)11(9-16)6-10-7-13(19-3)14(20-4)8-12(10)18-2/h6-8H,5H2,1-4H3 |
| InChIKey | JNRMJRJOIFQHGX-UHFFFAOYSA-N |
| SMILES | C1(=CC(=C(C=C1OC)OC)OC)C=C(C(OCC)=O)C#N |