| SpectraBase Compound ID | KbjrJasSEaE |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-4-5-6-9-14-22-18(20)12-13-19(21)24-17-11-8-7-10-16(17)23-15(2)3/h7-8,10-13,15H,4-6,9,14H2,1-3H3/b13-12+ |
| InChIKey | LABQWMNKUDRLOQ-OUKQBFOZSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRkamgbiyjC |
|---|---|
| Name | Fumaric acid, hexyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-4-5-6-9-14-22-18(20)12-13-19(21)24-17-11-8-7-10-16(17)23-15(2)3/h7-8,10-13,15H,4-6,9,14H2,1-3H3/b13-12+ |
| InChIKey | LABQWMNKUDRLOQ-OUKQBFOZSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=CC=C1)OC(C)C)=O)(OCCCCCC)=O |