| SpectraBase Compound ID | 6tgHtHC0zN9 |
|---|---|
| InChI | InChI=1S/C11H11NO3/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7H,5H2,1-2H3 |
| InChIKey | ZLENRTUQTZZRDG-UHFFFAOYSA-N |
| Mol Weight | 205.21 g/mol |
| Molecular Formula | C11H11NO3 |
| Exact Mass | 205.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLCTYI12jvF |
|---|---|
| Name | 3-(2,4-Dimethoxyphenyl)-3-oxopropanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.073893215 u |
| Formula | C11H11NO3 |
| InChI | InChI=1S/C11H11NO3/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7H,5H2,1-2H3 |
| InChIKey | ZLENRTUQTZZRDG-UHFFFAOYSA-N |
| Molecular Weight | 205.213 g/mol |
| SMILES | C1(=C(C=CC(=C1)OC)C(CC#N)=O)OC |