| SpectraBase Compound ID | 3OwHWUaNHWm |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-7-8-9-10-11-12-13-21-17(19)14-18(20)22-16(4)15(3)6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | BPAGMKMIPPRRDW-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F51B5bmhcay |
|---|---|
| Name | Malonic acid, 3-methylpent-2-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-5-7-8-9-10-11-12-13-21-17(19)14-18(20)22-16(4)15(3)6-2/h15-16H,5-14H2,1-4H3 |
| InChIKey | BPAGMKMIPPRRDW-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)CC)C)(CC(OCCCCCCCCC)=O)=O |