| SpectraBase Compound ID | EhE8HOFII4v |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-11-8-13(9-12(2)16(11)19)6-4-5-7-14(17)10-15(18)20-3/h8-9,19H,4-7,10H2,1-3H3 |
| InChIKey | VWSYCXPJGGOCOG-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VSMm6RPJZm |
|---|---|
| Name | Methyl 7-(3,5-dimethyl-4-hydroxyphenyl)-3-oxoheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-11-8-13(9-12(2)16(11)19)6-4-5-7-14(17)10-15(18)20-3/h8-9,19H,4-7,10H2,1-3H3 |
| InChIKey | VWSYCXPJGGOCOG-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C=1(C(=CC(=CC1C)CCCCC(CC(=O)OC)=O)C)O |