| SpectraBase Compound ID | 3AyYrj6gz7P |
|---|---|
| InChI | InChI=1S/C15H21NO5/c1-17-12-7-10(8-13(18-2)14(12)19-3)6-11(9-16)15(20-4)21-5/h7-8,11,15H,6H2,1-5H3 |
| InChIKey | YJLVEDBQYCETMX-UHFFFAOYSA-N |
| Mol Weight | 295.34 g/mol |
| Molecular Formula | C15H21NO5 |
| Exact Mass | 295.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IYoLnVAKrAu |
|---|---|
| Name | 3,3-Dimethoxy-2-(3,4,5-trimethoxybenzyl)propionitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.141972775 u |
| Formula | C15H21NO5 |
| InChI | InChI=1S/C15H21NO5/c1-17-12-7-10(8-13(18-2)14(12)19-3)6-11(9-16)15(20-4)21-5/h7-8,11,15H,6H2,1-5H3 |
| InChIKey | YJLVEDBQYCETMX-UHFFFAOYSA-N |
| Molecular Weight | 295.335 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(C#N)C(OC)OC)OC)OC |