| SpectraBase Compound ID | 5qU0t6NjO4K |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-2-11-16-12-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3 |
| InChIKey | QTGYANCSONQBIO-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lQIz1uWjM2 |
|---|---|
| Name | 6-Oxanonan-1-ol, 1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-2-11-16-12-7-6-10-14(15)13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3 |
| InChIKey | QTGYANCSONQBIO-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C1=CC(C(CCCCOCCC)O)=CC=C1 |