![5-Phenyl-3,4,7,7a-Tetrahydrocyclopenta[b]pyran-6(2H)-one](/api/spectrum/COgOdXUEnHY/structure.png?h=300&w=458 "5-Phenyl-3,4,7,7a-Tetrahydrocyclopenta[b]pyran-6(2H)-one")
| SpectraBase Compound ID | AL69pn4RPLB |
|---|---|
| InChI | InChI=1S/C14H14O2/c15-12-9-13-11(7-4-8-16-13)14(12)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2 |
| InChIKey | WJCLQXIQVLEGHR-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C14H14O2 |
| Exact Mass | 214.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | COgOdXUEnHY |
|---|---|
| Name | 5-Phenyl-3,4,7,7A-tetrahydrocyclopenta[B]pyran-6(2H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.099379689 u |
| Formula | C14H14O2 |
| InChI | InChI=1S/C14H14O2/c15-12-9-13-11(7-4-8-16-13)14(12)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2 |
| InChIKey | WJCLQXIQVLEGHR-UHFFFAOYSA-N |
| Molecular Weight | 214.264 g/mol |
| SMILES | C=1(C(CC2C1CCCO2)=O)C=1C=CC=CC1 |