| SpectraBase Compound ID | 4MJkENtsedN |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
| InChIKey | PPUJONYIVOFJLM-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEY2O8YNXye |
|---|---|
| Name | 1,2-Pentanedione, 1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
| InChIKey | PPUJONYIVOFJLM-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(C(=O)CCC)(=O)C=1C=CC=CC1 |