| SpectraBase Compound ID | 75S8BvenUoN |
|---|---|
| InChI | InChI=1S/C16H18Cl2O4/c1-4-13(10(2)3)21-15(19)7-8-16(20)22-14-6-5-11(17)9-12(14)18/h5-10,13H,4H2,1-3H3/b8-7+ |
| InChIKey | ZFVXWTUROXLRKB-BQYQJAHWSA-N |
| Mol Weight | 345.22 g/mol |
| Molecular Formula | C16H18Cl2O4 |
| Exact Mass | 344.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zexljYoNbN |
|---|---|
| Name | Fumaric acid, 2,4-dichlorophenyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.058214456 u |
| Formula | C16H18Cl2O4 |
| InChI | InChI=1S/C16H18Cl2O4/c1-4-13(10(2)3)21-15(19)7-8-16(20)22-14-6-5-11(17)9-12(14)18/h5-10,13H,4H2,1-3H3/b8-7+ |
| InChIKey | ZFVXWTUROXLRKB-BQYQJAHWSA-N |
| Molecular Weight | 345.222 g/mol |
| SMILES | C(\C=C\C(OC(CC)C(C)C)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O |