| SpectraBase Compound ID | 11USMoOkFwo |
|---|---|
| InChI | InChI=1S/C12H16O/c1-12(2,9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,10H,6,9H2,1-2H3 |
| InChIKey | APKNPKPWUGHGGP-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 | 4YnXWjk3V08 |
|---|---|
| Name | 4-Methyl-4-phenyl-1-pentanal; 4-methyl-4-phenylvaleraldehyde; benzenebutanal, gamma,gamma-dimethyl- |
| 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/c1-12(2,9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,10H,6,9H2,1-2H3 |
| InChIKey | APKNPKPWUGHGGP-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1(=CC=CC=C1)C(CCC=O)(C)C |