| SpectraBase Compound ID | 7VIqkVEjv0G |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-4-5-6-7-8-9-10-14-21-17(19)11-12-18(20)22-15-13-16(2)3/h11-13H,4-10,14-15H2,1-3H3/b12-11+ |
| InChIKey | JVIBHZKWFFBMEK-VAWYXSNFSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35BWi12pTj |
|---|---|
| Name | Fumaric acid, 3-methylbut-2-en-1-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-4-5-6-7-8-9-10-14-21-17(19)11-12-18(20)22-15-13-16(2)3/h11-13H,4-10,14-15H2,1-3H3/b12-11+ |
| InChIKey | JVIBHZKWFFBMEK-VAWYXSNFSA-N |
| SMILES | C(COC(\C=C\C(OCCCCCCCCC)=O)=O)=C(C)C |