| SpectraBase Compound ID | 7TubTuD7MAl |
|---|---|
| InChI | InChI=1S/C15H15Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h3-4,7-9H,5-6H2,1-2H3/b4-3+ |
| InChIKey | HWGBOSXEIFMYRK-ONEGZZNKSA-N |
| Mol Weight | 365.64 g/mol |
| Molecular Formula | C15H15Cl3O4 |
| Exact Mass | 364.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhbMJZRtwcS |
|---|---|
| Name | Fumaric acid, 3-methylbutyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.003592059 u |
| Formula | C15H15Cl3O4 |
| InChI | InChI=1S/C15H15Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h3-4,7-9H,5-6H2,1-2H3/b4-3+ |
| InChIKey | HWGBOSXEIFMYRK-ONEGZZNKSA-N |
| Molecular Weight | 365.640 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OCCC(C)C)=O |