| SpectraBase Compound ID | 98eQrdGpeTJ |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-5-7-8-12(6-2)18-14(16)9-13(15)17-10-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | QWBOHEDQDBEVCB-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DV694r6dpov |
|---|---|
| Name | Malonic acid, 3-heptyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-5-7-8-12(6-2)18-14(16)9-13(15)17-10-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | QWBOHEDQDBEVCB-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(OC(CC)CCCC)(CC(OCC(C)C)=O)=O |