| SpectraBase Compound ID | 7Od9zHHeiY0 |
|---|---|
| InChI | InChI=1S/C16H16O4/c1-2-3-9-19-16(18)15-11-13(17)10-14(20-15)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3 |
| InChIKey | RWNOUBIXKUGZES-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C16H16O4 |
| Exact Mass | 272.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bi7dzh9u9v |
|---|---|
| Name | 4H-Pyran-2-carboxylic acid 4-oxo-6-phenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.104858991 u |
| Formula | C16H16O4 |
| InChI | InChI=1S/C16H16O4/c1-2-3-9-19-16(18)15-11-13(17)10-14(20-15)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3 |
| InChIKey | RWNOUBIXKUGZES-UHFFFAOYSA-N |
| Molecular Weight | 272.300 g/mol |
| SMILES | C=1(OC(C2=CC=CC=C2)=CC(C1)=O)C(=O)OCCCC |