| SpectraBase Compound ID | 7witEhE98z6 |
|---|---|
| InChI | InChI=1S/C18H23ClO4/c1-3-4-5-6-8-14(2)22-17(20)11-12-18(21)23-16-10-7-9-15(19)13-16/h7,9-14H,3-6,8H2,1-2H3/b12-11+ |
| InChIKey | WVGKLDJCSLLKFZ-VAWYXSNFSA-N |
| Mol Weight | 338.83 g/mol |
| Molecular Formula | C18H23ClO4 |
| Exact Mass | 338.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41hguB8pG6X |
|---|---|
| Name | Fumaric acid, 2-octyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.128486917 u |
| Formula | C18H23ClO4 |
| InChI | InChI=1S/C18H23ClO4/c1-3-4-5-6-8-14(2)22-17(20)11-12-18(21)23-16-10-7-9-15(19)13-16/h7,9-14H,3-6,8H2,1-2H3/b12-11+ |
| InChIKey | WVGKLDJCSLLKFZ-VAWYXSNFSA-N |
| Molecular Weight | 338.831 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OC(CCCCCC)C)=O |