| SpectraBase Compound ID | I40mDdBlYj |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-6-7-8-9-10-13-21-17(19)11-12-18(20)22-16(4)14-15(2)3/h11-12,15-16H,5-10,13-14H2,1-4H3/b12-11+ |
| InChIKey | MJKHWTYCWXBKBD-VAWYXSNFSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3TG3rOA6eCW |
|---|---|
| Name | Fumaric acid, 4-methylpent-2-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-5-6-7-8-9-10-13-21-17(19)11-12-18(20)22-16(4)14-15(2)3/h11-12,15-16H,5-10,13-14H2,1-4H3/b12-11+ |
| InChIKey | MJKHWTYCWXBKBD-VAWYXSNFSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(OC(C)CC(C)C)(\C=C\C(OCCCCCCCC)=O)=O |