| SpectraBase Compound ID | 6HQ2inaGXvy |
|---|---|
| InChI | InChI=1S/C18H36O4/c1-4-7-14-20-17(19)12-10-11-13-18(21-15-8-5-2)22-16-9-6-3/h18H,4-16H2,1-3H3 |
| InChIKey | RCYOTZHWGFBPDT-UHFFFAOYSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C18H36O4 |
| Exact Mass | 316.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38KUC5noXWO |
|---|---|
| Name | 6,6-Dibutoxyhexanoic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.261359635 u |
| Formula | C18H36O4 |
| InChI | InChI=1S/C18H36O4/c1-4-7-14-20-17(19)12-10-11-13-18(21-15-8-5-2)22-16-9-6-3/h18H,4-16H2,1-3H3 |
| InChIKey | RCYOTZHWGFBPDT-UHFFFAOYSA-N |
| Molecular Weight | 316.482 g/mol |
| SMILES | C(CCC(OCCCC)=O)CC(OCCCC)OCCCC |