| SpectraBase Compound ID | Kkqqxr1Qebg |
|---|---|
| InChI | InChI=1S/C14H12O6/c1-3-18-13(16)11-6-9-4-5-10(19-8(2)15)7-12(9)20-14(11)17/h4-7H,3H2,1-2H3 |
| InChIKey | SKVJGNVETVRDTL-UHFFFAOYSA-N |
| Mol Weight | 276.24 g/mol |
| Molecular Formula | C14H12O6 |
| Exact Mass | 276.063388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HuEieFsrquS |
|---|---|
| Name | 3-Carbethoxy-7-hydroxycoumarin, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.063388100 u |
| Formula | C14H12O6 |
| InChI | InChI=1S/C14H12O6/c1-3-18-13(16)11-6-9-4-5-10(19-8(2)15)7-12(9)20-14(11)17/h4-7H,3H2,1-2H3 |
| InChIKey | SKVJGNVETVRDTL-UHFFFAOYSA-N |
| Molecular Weight | 276.244 g/mol |
| SMILES | C1(OC(=O)C)=CC=C2C(OC(C(C(OCC)=O)=C2)=O)=C1 |