| SpectraBase Compound ID | E1rWrrWOvhi |
|---|---|
| InChI | InChI=1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3 |
| InChIKey | YAFGHMIAFYQSCF-UHFFFAOYSA-N |
| Mol Weight | 215.21 g/mol |
| Molecular Formula | C12H9NO3 |
| Exact Mass | 215.058243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zur5V21eoN |
|---|---|
| Name | 3-Cyano-7-ethoxycoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.058243151 u |
| Formula | C12H9NO3 |
| InChI | InChI=1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3 |
| InChIKey | YAFGHMIAFYQSCF-UHFFFAOYSA-N |
| Molecular Weight | 215.208 g/mol |
| SMILES | C1=2OC(C(=CC2C=CC(OCC)=C1)C#N)=O |