| SpectraBase Compound ID | A8YOulZiDqg |
|---|---|
| InChI | InChI=1S/C11H10O2/c12-10-7-6-9(11(10)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | PLQPJDWMIRZCOH-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EOaxADYCe6 |
|---|---|
| Name | 1,2-Cyclopentanedione, 3-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c12-10-7-6-9(11(10)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | PLQPJDWMIRZCOH-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C1(=O)C(CCC1=O)C1=CC=CC=C1 |