| SpectraBase Compound ID | FbdUMdTPcqh |
|---|---|
| InChI | InChI=1S/C15H14O5/c1-8(2)15(18)19-11-6-4-10-5-7-12(17)20-14(10)13(11)9(3)16/h4-8H,1-3H3 |
| InChIKey | IVBXWPVDUBVPRM-UHFFFAOYSA-N |
| Mol Weight | 274.27 g/mol |
| Molecular Formula | C15H14O5 |
| Exact Mass | 274.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ftlp274bVai |
|---|---|
| Name | 8-Acetyl-7-hydroxycoumarin, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.084123546 u |
| Formula | C15H14O5 |
| InChI | InChI=1S/C15H14O5/c1-8(2)15(18)19-11-6-4-10-5-7-12(17)20-14(10)13(11)9(3)16/h4-8H,1-3H3 |
| InChIKey | IVBXWPVDUBVPRM-UHFFFAOYSA-N |
| SMILES | C(C)(=O)C1=C2C(=CC=C1OC(C(C)C)=O)C=CC(O2)=O |