| SpectraBase Compound ID | 4prMQiBeAfB |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-3-4-5-13(17)10-14-9-12-8-11(16(18)19-2)6-7-15(12)20-14/h6-8,14H,3-5,9-10H2,1-2H3 |
| InChIKey | GHHYSGAVHAJCLE-UHFFFAOYSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4fXweklC9Gy |
|---|---|
| Name | Methyl 2-(2-oxohexyl)-2,3-dihydrobenzofuran-5-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-3-4-5-13(17)10-14-9-12-8-11(16(18)19-2)6-7-15(12)20-14/h6-8,14H,3-5,9-10H2,1-2H3 |
| InChIKey | GHHYSGAVHAJCLE-UHFFFAOYSA-N |
| SMILES | C1=2OC(CC2C=C(C(=O)OC)C=C1)CC(=O)CCCC |