| SpectraBase Compound ID | 4jvGwr95rVL |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3 |
| InChIKey | NPPJLSILDPVHCM-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9SPmuWo7II |
|---|---|
| Name | Felbinac et P557 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3 |
| InChIKey | NPPJLSILDPVHCM-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C=1C=CC=C(C1)C=1C=CC(=CC1)CC(=O)OCC |