| SpectraBase Compound ID | AH5UzptkJpQ |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-2-4-10(13)8-12(15)9-5-3-6-11(14)7-9/h3,5-7,10,13-14H,2,4,8H2,1H3 |
| InChIKey | MSLCSTPKTOIBHY-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAbguo4zY0t |
|---|---|
| Name | 1-(3-Hydroxyphenyl)-3-oxidanyl-hexan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-2-4-10(13)8-12(15)9-5-3-6-11(14)7-9/h3,5-7,10,13-14H,2,4,8H2,1H3 |
| InChIKey | MSLCSTPKTOIBHY-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(C1=CC(O)=CC=C1)(CC(O)CCC)=O |