| SpectraBase Compound ID | 4ntBq21SHUA |
|---|---|
| InChI | InChI=1S/C17H14O5/c1-11(18)22-17(12-5-3-2-4-6-12)16(19)13-7-8-14-15(9-13)21-10-20-14/h2-9,17H,10H2,1H3 |
| InChIKey | CAEXDOWCEXQLIP-UHFFFAOYSA-N |
| Mol Weight | 298.29 g/mol |
| Molecular Formula | C17H14O5 |
| Exact Mass | 298.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeOuLBU4NSx |
|---|---|
| Name | 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.084123546 u |
| Formula | C17H14O5 |
| InChI | InChI=1S/C17H14O5/c1-11(18)22-17(12-5-3-2-4-6-12)16(19)13-7-8-14-15(9-13)21-10-20-14/h2-9,17H,10H2,1H3 |
| InChIKey | CAEXDOWCEXQLIP-UHFFFAOYSA-N |
| Molecular Weight | 298.294 g/mol |
| SMILES | C1OC=2C(O1)=CC=C(C2)C(=O)C(OC(=O)C)C1=CC=CC=C1 |