| SpectraBase Compound ID | Ee0y9juvYOz |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-2-3-4-5-6-7-16-13-10-17-11(9-14)8-12(13)15/h8,10,14H,2-7,9H2,1H3 |
| InChIKey | CCIDKAHWRLFUNL-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OjWUxNFcQO |
|---|---|
| Name | 5-(Heptyloxy)-2-(hydroxymethyl)-4H-pyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-2-3-4-5-6-7-16-13-10-17-11(9-14)8-12(13)15/h8,10,14H,2-7,9H2,1H3 |
| InChIKey | CCIDKAHWRLFUNL-UHFFFAOYSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | OCC1=CC(C(=CO1)OCCCCCCC)=O |