| SpectraBase Compound ID | 2pjqjtN10mL |
|---|---|
| InChI | InChI=1S/C18H23ClO4/c1-3-5-8-14(4-2)13-22-17(20)11-12-18(21)23-16-10-7-6-9-15(16)19/h6-7,9-12,14H,3-5,8,13H2,1-2H3/b12-11+ |
| InChIKey | OSCMBMNZFREGEI-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 | LThUjT1Vy4B |
|---|---|
| Name | Fumaric acid, 2-chlorophenyl 2-ethylhexyl 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/c1-3-5-8-14(4-2)13-22-17(20)11-12-18(21)23-16-10-7-6-9-15(16)19/h6-7,9-12,14H,3-5,8,13H2,1-2H3/b12-11+ |
| InChIKey | OSCMBMNZFREGEI-VAWYXSNFSA-N |
| Molecular Weight | 338.831 g/mol |
| SMILES | C(\C=C\C(OCC(CC)CCCC)=O)(OC1=C(C=CC=C1)Cl)=O |