| SpectraBase Compound ID | ATAspXGbzDf |
|---|---|
| InChI | InChI=1S/C13H18O/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3 |
| InChIKey | GDLHZUSLTJYZFX-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACIVW86Ue2g |
|---|---|
| Name | 1-Hexanone, 5-methyl-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-11(2)7-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,11H,6-7,10H2,1-2H3 |
| InChIKey | GDLHZUSLTJYZFX-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)CCC(C)C |