| SpectraBase Compound ID | wlUKBOMm4t |
|---|---|
| InChI | InChI=1S/C18H32O6/c1-3-5-6-7-11-23-16(19)9-8-10-17(20)24-14-18(4-2)12-21-15-22-13-18/h3-15H2,1-2H3 |
| InChIKey | FPKXULPVFFEXGH-UHFFFAOYSA-N |
| Mol Weight | 344.4 g/mol |
| Molecular Formula | C18H32O6 |
| Exact Mass | 344.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jjHFtVRoDY |
|---|---|
| Name | Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.219888744 u |
| Formula | C18H32O6 |
| InChI | InChI=1S/C18H32O6/c1-3-5-6-7-11-23-16(19)9-8-10-17(20)24-14-18(4-2)12-21-15-22-13-18/h3-15H2,1-2H3 |
| InChIKey | FPKXULPVFFEXGH-UHFFFAOYSA-N |
| Molecular Weight | 344.448 g/mol |
| SMILES | C(C1(COCOC1)CC)OC(=O)CCCC(OCCCCCC)=O |