| SpectraBase Compound ID | BcYW1mBRnDZ |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-7-9-10-11-12-20-15(18)17(5,6)16(19)21-14(8-2)13(3)4/h13-14H,7-12H2,1-6H3 |
| InChIKey | NYRHXDFNTFAPGS-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 | 1HzFZ7GZRb9 |
|---|---|
| Name | Dimethylmalonic acid, hexyl 2-methylpent-3-yl 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/c1-7-9-10-11-12-20-15(18)17(5,6)16(19)21-14(8-2)13(3)4/h13-14H,7-12H2,1-6H3 |
| InChIKey | NYRHXDFNTFAPGS-UHFFFAOYSA-N |
| SMILES | CCC(OC(=O)C(C)(C)C(OCCCCCC)=O)C(C)C |