| SpectraBase Compound ID | KK4ynwVv0jD |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-12(18)21-14-9-6-13(7-10-14)8-11-17(20)15-4-2-3-5-16(15)19/h2-7,9-10,19H,8,11H2,1H3 |
| InChIKey | MNURUUZWPIAVRQ-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CkTIYsGXgbj |
|---|---|
| Name | Etafenone-m isomer-2 ac @P800 |
| 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)21-14-9-6-13(7-10-14)8-11-17(20)15-4-2-3-5-16(15)19/h2-7,9-10,19H,8,11H2,1H3 |
| InChIKey | MNURUUZWPIAVRQ-UHFFFAOYSA-N |
| SMILES | C=1C=C(C(=O)CCC2=CC=C(C=C2)OC(C)=O)C(O)=CC1 |