| SpectraBase Compound ID | KOqYb0hR0UU |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-5-7-12(8-6-2)18-14(16)9-13(15)17-10-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | BRUDKLKDSFWDQJ-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6O0Hj7pncsw |
|---|---|
| Name | Malonic acid, isobutyl 4-heptyl 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/c1-5-7-12(8-6-2)18-14(16)9-13(15)17-10-11(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | BRUDKLKDSFWDQJ-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | C(C(OC(CCC)CCC)=O)C(OCC(C)C)=O |