| SpectraBase Compound ID | 3buQh61d0mL |
|---|---|
| InChI | InChI=1S/C11H7NO3/c1-14-9-2-3-10-7(5-9)4-8(6-12)11(13)15-10/h2-5H,1H3 |
| InChIKey | BVVHOFPYWCEQBM-UHFFFAOYSA-N |
| Mol Weight | 201.18 g/mol |
| Molecular Formula | C11H7NO3 |
| Exact Mass | 201.042593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D5FJCBs1gNL |
|---|---|
| Name | 3-Cyano-6-methoxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.042593086 u |
| Formula | C11H7NO3 |
| InChI | InChI=1S/C11H7NO3/c1-14-9-2-3-10-7(5-9)4-8(6-12)11(13)15-10/h2-5H,1H3 |
| InChIKey | BVVHOFPYWCEQBM-UHFFFAOYSA-N |
| Molecular Weight | 201.181 g/mol |
| SMILES | C1=C(C=C2C(=C1)OC(=O)C(=C2)C#N)OC |