| SpectraBase Compound ID | JNSVvg685fq |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-6-7-8-9-10-14-22-17(20)12-11-13-18(21)24-16(2)15-23-19(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey | BOXITHAKWKDFMA-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 939krG6NKay |
|---|---|
| Name | Glutaric acid, 1-(tert-butoxy)prop-2-yl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-6-7-8-9-10-14-22-17(20)12-11-13-18(21)24-16(2)15-23-19(3,4)5/h16H,6-15H2,1-5H3 |
| InChIKey | BOXITHAKWKDFMA-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(CCCC(OC(C)COC(C)(C)C)=O)(OCCCCCCC)=O |