| SpectraBase Compound ID | J5kcmF9BSSJ |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-7-8-9-10-11-12-20-14(18)17(5,6)15(19)21-13-16(2,3)4/h7-13H2,1-6H3 |
| InChIKey | SSJXMOZVGABOSE-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 | 96Lz0dXPk3r |
|---|---|
| Name | Dimethylmalonic acid, heptyl neopentyl 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/c1-7-8-9-10-11-12-20-14(18)17(5,6)15(19)21-13-16(2,3)4/h7-13H2,1-6H3 |
| InChIKey | SSJXMOZVGABOSE-UHFFFAOYSA-N |
| SMILES | CCCCCCCOC(C(C(=O)OCC(C)(C)C)(C)C)=O |