| SpectraBase Compound ID | 3I39Oh1OO60 |
|---|---|
| InChI | InChI=1S/C19H25ClO5/c1-23-16-8-10-17(11-9-16)25-19(22)13-12-18(21)24-15-7-5-3-2-4-6-14-20/h8-13H,2-7,14-15H2,1H3/b13-12+ |
| InChIKey | WXBNGDVCNJWEHF-OUKQBFOZSA-N |
| Mol Weight | 368.86 g/mol |
| Molecular Formula | C19H25ClO5 |
| Exact Mass | 368.139052 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESV9zLo0KB9 |
|---|---|
| Name | Fumaric acid, 4-methoxyphenyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.139051600 u |
| Formula | C19H25ClO5 |
| InChI | InChI=1S/C19H25ClO5/c1-23-16-8-10-17(11-9-16)25-19(22)13-12-18(21)24-15-7-5-3-2-4-6-14-20/h8-13H,2-7,14-15H2,1H3/b13-12+ |
| InChIKey | WXBNGDVCNJWEHF-OUKQBFOZSA-N |
| Molecular Weight | 368.857 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCl)=O)(OC1=CC=C(C=C1)OC)=O |