| SpectraBase Compound ID | CY2h1ng6AOZ |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-14(2,3)13(16)10-9-12(15)11-7-5-4-6-8-11/h4-8,12-13,15-16H,9-10H2,1-3H3 |
| InChIKey | GGSXXDLMAQEKSD-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 | 6DJQSuDPuW2 |
|---|---|
| Name | Anti-5,5-dimethyl-1-phenyl-1,4-hexanediol |
| 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/c1-14(2,3)13(16)10-9-12(15)11-7-5-4-6-8-11/h4-8,12-13,15-16H,9-10H2,1-3H3 |
| InChIKey | GGSXXDLMAQEKSD-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C(CCC(C(C)(C)C)O)(O)C=1C=CC=CC1 |