| SpectraBase Compound ID | Hu77GAuymSj |
|---|---|
| InChI | InChI=1S/C16H28O3/c1-4-6-7-8-9-10-14-11-12-15(13(3)19-14)16(17)18-5-2/h14H,4-12H2,1-3H3 |
| InChIKey | XSXKUVFOYZCVBQ-UHFFFAOYSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C16H28O3 |
| Exact Mass | 268.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gp3Y6js4E2G |
|---|---|
| Name | 2-Heptyl-5-(ethoxycarbonyl)-6-methyl-3,4-dihydro-2H-pyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.203844759 u |
| Formula | C16H28O3 |
| InChI | InChI=1S/C16H28O3/c1-4-6-7-8-9-10-14-11-12-15(13(3)19-14)16(17)18-5-2/h14H,4-12H2,1-3H3 |
| InChIKey | XSXKUVFOYZCVBQ-UHFFFAOYSA-N |
| SMILES | C1(=C(OC(CC1)CCCCCCC)C)C(=O)OCC |