| SpectraBase Compound ID | DOBb48xBibA |
|---|---|
| InChI | InChI=1S/C17H21NO4/c1-17(2,3)16(19)12(10-18)9-11-7-8-13(20-4)15(22-6)14(11)21-5/h7-9H,1-6H3/b12-9+ |
| InChIKey | LMLDWVWHCPSDGG-FMIVXFBMSA-N |
| Mol Weight | 303.36 g/mol |
| Molecular Formula | C17H21NO4 |
| Exact Mass | 303.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A92dS1XGxuk |
|---|---|
| Name | (2E)-2-(2,2-Dimethylpropanoyl)-3-(2,3,4-trimethoxyphenyl)-2-propenenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.147058156 u |
| Formula | C17H21NO4 |
| InChI | InChI=1S/C17H21NO4/c1-17(2,3)16(19)12(10-18)9-11-7-8-13(20-4)15(22-6)14(11)21-5/h7-9H,1-6H3/b12-9+ |
| InChIKey | LMLDWVWHCPSDGG-FMIVXFBMSA-N |
| SMILES | C=1(\C=C\(C(C(C)(C)C)=O)C#N)C(=C(OC)C(=CC1)OC)OC |