| SpectraBase Compound ID | K46p5ep4IRq |
|---|---|
| InChI | InChI=1S/C14H25ClO4/c1-11(2)6-5-9-18-13(16)7-4-8-14(17)19-10-12(3)15/h11-12H,4-10H2,1-3H3 |
| InChIKey | UPYXJUAJGVXORA-UHFFFAOYSA-N |
| Mol Weight | 292.8 g/mol |
| Molecular Formula | C14H25ClO4 |
| Exact Mass | 292.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F0CGlNhfNJe |
|---|---|
| Name | Glutaric acid, 2-chloropropyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.144136981 u |
| Formula | C14H25ClO4 |
| InChI | InChI=1S/C14H25ClO4/c1-11(2)6-5-9-18-13(16)7-4-8-14(17)19-10-12(3)15/h11-12H,4-10H2,1-3H3 |
| InChIKey | UPYXJUAJGVXORA-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(CCCC(OCC(C)Cl)=O)=O |