| SpectraBase Compound ID | IRNBOxmxL2t |
|---|---|
| InChI | InChI=1S/C13H10O4/c1-2-7-16-12(14)10-8-9-5-3-4-6-11(9)17-13(10)15/h2-6,8H,1,7H2 |
| InChIKey | VFLDNJKSHCUDFU-UHFFFAOYSA-N |
| Mol Weight | 230.22 g/mol |
| Molecular Formula | C13H10O4 |
| Exact Mass | 230.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zgtrfs7ZYT |
|---|---|
| Name | Coumarin-3-carboxylic acid, allyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.057908798 u |
| Formula | C13H10O4 |
| InChI | InChI=1S/C13H10O4/c1-2-7-16-12(14)10-8-9-5-3-4-6-11(9)17-13(10)15/h2-6,8H,1,7H2 |
| InChIKey | VFLDNJKSHCUDFU-UHFFFAOYSA-N |
| Molecular Weight | 230.219 g/mol |
| SMILES | C=1(C(OC=2C(C1)=CC=CC2)=O)C(=O)OCC=C |