| SpectraBase Compound ID | eleTlNVIG |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-7-10-16(6-2)14-22-18(20)12-11-17(19)21-13-8-9-15(3)4/h11-12,15-16H,5-10,13-14H2,1-4H3/b12-11+ |
| InChIKey | UCIVVKJCQCAKDR-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 | 6RYJbGuAKmC |
|---|---|
| Name | Fumaric acid, 2-ethylhexyl isohexyl 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/c1-5-7-10-16(6-2)14-22-18(20)12-11-17(19)21-13-8-9-15(3)4/h11-12,15-16H,5-10,13-14H2,1-4H3/b12-11+ |
| InChIKey | UCIVVKJCQCAKDR-VAWYXSNFSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | CC(C)CCCOC(\C=C\C(OCC(CCCC)CC)=O)=O |