| SpectraBase Compound ID | 939uffAE2aD |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9(2)12(13)10(3)11-7-5-4-6-8-11/h4-10,12-13H,1-3H3 |
| InChIKey | RQXRFZWBPIAXFL-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JE0YfNDACJ7 |
|---|---|
| Name | 2-Methyl-4-phenyl-3-pentanol diastereoisomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-9(2)12(13)10(3)11-7-5-4-6-8-11/h4-10,12-13H,1-3H3 |
| InChIKey | RQXRFZWBPIAXFL-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C(C(C1=CC=CC=C1)C)(C(C)C)O |