| SpectraBase Compound ID | 6CHh59OegDj |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-2-11(14)8-12(15)9-13(16)10-6-4-3-5-7-10/h3-7,11,13-14,16H,2,8-9H2,1H3 |
| InChIKey | IGOVAWOJNAQOCX-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 705NyEJDW5x |
|---|---|
| Name | 1-Phenyl-1,5-dihydroxyhepta-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-2-11(14)8-12(15)9-13(16)10-6-4-3-5-7-10/h3-7,11,13-14,16H,2,8-9H2,1H3 |
| InChIKey | IGOVAWOJNAQOCX-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C(CC(O)CC)=O)C(C=1C=CC=CC1)O |