| SpectraBase Compound ID | 2iu5pP4IaT9 |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-12(18)21-14-8-10-17(20)15(11-14)16(19)9-7-13-5-3-2-4-6-13/h2-6,8,10-11,20H,7,9H2,1H3 |
| InChIKey | TVYYKYIIGFYNPE-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FzYlRylH6O |
|---|---|
| Name | Etafenone-m isomer-1 ac @P801 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-12(18)21-14-8-10-17(20)15(11-14)16(19)9-7-13-5-3-2-4-6-13/h2-6,8,10-11,20H,7,9H2,1H3 |
| InChIKey | TVYYKYIIGFYNPE-UHFFFAOYSA-N |
| SMILES | C=1C(=C(C=C(C1)OC(C)=O)C(=O)CCC1=CC=CC=C1)O |