| SpectraBase Compound ID | JOjOpgU4zfC |
|---|---|
| InChI | InChI=1S/C19H34O4/c1-5-7-8-9-10-11-12-15-22-18(20)13-14-19(21)23-17(6-2)16(3)4/h13-14,16-17H,5-12,15H2,1-4H3/b14-13+ |
| InChIKey | IYUMQZAITASHJI-BUHFOSPRSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C19H34O4 |
| Exact Mass | 326.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjMPom8H9A6 |
|---|---|
| Name | Fumaric acid, 2-methylpent-3-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.245709571 u |
| Formula | C19H34O4 |
| InChI | InChI=1S/C19H34O4/c1-5-7-8-9-10-11-12-15-22-18(20)13-14-19(21)23-17(6-2)16(3)4/h13-14,16-17H,5-12,15H2,1-4H3/b14-13+ |
| InChIKey | IYUMQZAITASHJI-BUHFOSPRSA-N |
| Molecular Weight | 326.477 g/mol |
| SMILES | C(OC(CC)C(C)C)(\C=C\C(OCCCCCCCCC)=O)=O |