| SpectraBase Compound ID | 2llfHUJQym |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-15-9-5-6-10-16(15)22-18(20)12-11-17(19)21-13-7-8-14(2)3/h5-6,9-12,14H,4,7-8,13H2,1-3H3/b12-11+ |
| InChIKey | XMOHGIDTAKRSPI-VAWYXSNFSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14g6lZIVDxd |
|---|---|
| Name | Fumaric acid, 2-ethylphenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-4-15-9-5-6-10-16(15)22-18(20)12-11-17(19)21-13-7-8-14(2)3/h5-6,9-12,14H,4,7-8,13H2,1-3H3/b12-11+ |
| InChIKey | XMOHGIDTAKRSPI-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OCCCC(C)C)=O)(OC1=C(CC)C=CC=C1)=O |