| SpectraBase Compound ID | 6EWjILMY1Tc |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-3-4-5-6-7-13(15)12-10-11(2)8-9-14(12)16/h6-10,16H,3-5H2,1-2H3/b7-6+ |
| InChIKey | CRDXXGUXEQKWAL-VOTSOKGWSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kcqJIUBntq |
|---|---|
| Name | 2-Hepten-1-one, 1-(2-hydroxy-5-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-3-4-5-6-7-13(15)12-10-11(2)8-9-14(12)16/h6-10,16H,3-5H2,1-2H3/b7-6+ |
| InChIKey | CRDXXGUXEQKWAL-VOTSOKGWSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(\C=C\CCCC)(=O)C1=C(O)C=CC(=C1)C |