| SpectraBase Compound ID | DoRskeWCBPP |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-6-7-8-9-12-20-15(18)17(4,5)16(19)21-13-10-11-14(2)3/h14H,6-13H2,1-5H3 |
| InChIKey | ZHYOZGLBYSMTKY-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CY8HVzPWjaD |
|---|---|
| Name | Dimethylmalonic acid, hexyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-6-7-8-9-12-20-15(18)17(4,5)16(19)21-13-10-11-14(2)3/h14H,6-13H2,1-5H3 |
| InChIKey | ZHYOZGLBYSMTKY-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(C(C(=O)OCCCCCC)(C)C)=O |