| SpectraBase Compound ID | 1AYXncGlkJe |
|---|---|
| InChI | InChI=1S/C15H20O2/c1-17-15-8-6-12(7-9-15)10-13-4-2-3-5-14(13)11-16/h6-9,11,13-14H,2-5,10H2,1H3 |
| InChIKey | IIMWONVVDVDGRB-UHFFFAOYSA-N |
| Mol Weight | 232.32 g/mol |
| Molecular Formula | C15H20O2 |
| Exact Mass | 232.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QiYD0vxEkv |
|---|---|
| Name | 2-(Methoxyphenylmethyl)cyclohexane-1-carboxaldehyde isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.146329882 u |
| Formula | C15H20O2 |
| InChI | InChI=1S/C15H20O2/c1-17-15-8-6-12(7-9-15)10-13-4-2-3-5-14(13)11-16/h6-9,11,13-14H,2-5,10H2,1H3 |
| InChIKey | IIMWONVVDVDGRB-UHFFFAOYSA-N |
| Molecular Weight | 232.323 g/mol |
| SMILES | C1(CC2=CC=C(C=C2)OC)C(C=O)CCCC1 |