| SpectraBase Compound ID | 81HfnBFqba4 |
|---|---|
| InChI | InChI=1S/C18H14O6/c1-10(19)24-12-3-4-13-16(7-12)21-8-14(18(13)20)11-2-5-15-17(6-11)23-9-22-15/h2-7,14H,8-9H2,1H3 |
| InChIKey | NESQWMMBLXHLKT-UHFFFAOYSA-N |
| Mol Weight | 326.3 g/mol |
| Molecular Formula | C18H14O6 |
| Exact Mass | 326.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFj8c2SqQCk |
|---|---|
| Name | 7-Acetoxy-3-(3,4-methylenedioxyphenyl)-4-chromanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.079038165 u |
| Formula | C18H14O6 |
| InChI | InChI=1S/C18H14O6/c1-10(19)24-12-3-4-13-16(7-12)21-8-14(18(13)20)11-2-5-15-17(6-11)23-9-22-15/h2-7,14H,8-9H2,1H3 |
| InChIKey | NESQWMMBLXHLKT-UHFFFAOYSA-N |
| Molecular Weight | 326.304 g/mol |
| SMILES | C12=C(OCC(C2=O)C2=CC=C3OCOC3=C2)C=C(C=C1)OC(=O)C |