| SpectraBase Compound ID | 6HgUQSy5z9y |
|---|---|
| InChI | InChI=1S/C16H16O4/c1-20-16-9-7-11(10-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-5,7,9-10,17,19H,6,8H2,1H3 |
| InChIKey | XEDHSMBJTTVRAU-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C16H16O4 |
| Exact Mass | 272.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KY76tELa1pH |
|---|---|
| Name | Etafenone-m @P730 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.104858991 u |
| Formula | C16H16O4 |
| InChI | InChI=1S/C16H16O4/c1-20-16-9-7-11(10-15(16)19)6-8-14(18)12-4-2-3-5-13(12)17/h2-5,7,9-10,17,19H,6,8H2,1H3 |
| InChIKey | XEDHSMBJTTVRAU-UHFFFAOYSA-N |
| Molecular Weight | 272.300 g/mol |
| SMILES | C=1C=C(C(CCC2=CC=C(C(=C2)O)OC)=O)C(O)=CC1 |