| SpectraBase Compound ID | Ekrl4LurXtg |
|---|---|
| InChI | InChI=1S/C17H15NO4/c1-20-14-9-8-13(10-15(14)21-2)16(11-18)22-17(19)12-6-4-3-5-7-12/h3-10,16H,1-2H3 |
| InChIKey | CWKXEIBRGDZRBA-UHFFFAOYSA-N |
| Mol Weight | 297.31 g/mol |
| Molecular Formula | C17H15NO4 |
| Exact Mass | 297.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28yQBWNch0i |
|---|---|
| Name | Benzeneacetonitrile, .alpha.-(benzoyloxy)-3,4-dimethoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.100107963 u |
| Formula | C17H15NO4 |
| InChI | InChI=1S/C17H15NO4/c1-20-14-9-8-13(10-15(14)21-2)16(11-18)22-17(19)12-6-4-3-5-7-12/h3-10,16H,1-2H3 |
| InChIKey | CWKXEIBRGDZRBA-UHFFFAOYSA-N |
| SMILES | C(OC(C=1C=C(OC)C(=CC1)OC)C#N)(=O)C1=CC=CC=C1 |