| SpectraBase Compound ID | 6AdUyfL9NQN |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3 |
| InChIKey | IKYZOGGMJXYANI-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fCYs4UnxfT |
|---|---|
| Name | 3-(2,3,4-Trimethoxyphenyl)propanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3 |
| InChIKey | IKYZOGGMJXYANI-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C=1C=C(C(OC)=C(C1OC)OC)CCC#N |