| SpectraBase Compound ID | EEmUQQz2pba |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-10(2)13(15)9-12(14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | PLBFWIZRMGNKHH-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zlIOA7lwpd |
|---|---|
| Name | 2,4-Hexanedione, 5-methyl-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-10(2)13(15)9-12(14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | PLBFWIZRMGNKHH-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1=CC=CC(=C1)CC(=O)CC(=O)C(C)C |