| SpectraBase Compound ID | IPWCZiBVGoi |
|---|---|
| InChI | InChI=1S/C16H22O2/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h2-3,5-7,9-10,14,16-17H,1,4,8,11-13H2 |
| InChIKey | KGDRBQJZBVITHP-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E00XOfpqyiC |
|---|---|
| Name | 1-(1-Cyclohex-2-enyl)-3-phenylmethoxy-2-propanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h2-3,5-7,9-10,14,16-17H,1,4,8,11-13H2 |
| InChIKey | KGDRBQJZBVITHP-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1=CCCCC1CC(O)COCC=1C=CC=CC1 |