| SpectraBase Compound ID | DfdETkmVWzO |
|---|---|
| InChI | InChI=1S/C12H16O/c1-4-10(3)12(13)11-7-5-9(2)6-8-11/h4-8,10,12-13H,1H2,2-3H3 |
| InChIKey | SVRCCXVJDFUITE-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | La4qmxudDvu |
|---|---|
| Name | Benzenemethanol, 4-methyl-.alpha.-(1-methyl-2-propenyl)-, (R*,R*)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-4-10(3)12(13)11-7-5-9(2)6-8-11/h4-8,10,12-13H,1H2,2-3H3 |
| InChIKey | SVRCCXVJDFUITE-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | CC1=CC=C(C(C(C)C=C)O)C=C1 |