| SpectraBase Compound ID | ItjMhmMhRSv |
|---|---|
| InChI | InChI=1S/C17H28Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-22-16(20)11-12-17(21)23-14-15(18)19/h11-12,15H,2-10,13-14H2,1H3/b12-11+ |
| InChIKey | QRWWZUHTBJNFPP-VAWYXSNFSA-N |
| Mol Weight | 367.31 g/mol |
| Molecular Formula | C17H28Cl2O4 |
| Exact Mass | 366.136465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZR2M1m9Txz |
|---|---|
| Name | Fumaric acid, 2,2-dichloroethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.136464778 u |
| Formula | C17H28Cl2O4 |
| InChI | InChI=1S/C17H28Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-22-16(20)11-12-17(21)23-14-15(18)19/h11-12,15H,2-10,13-14H2,1H3/b12-11+ |
| InChIKey | QRWWZUHTBJNFPP-VAWYXSNFSA-N |
| Molecular Weight | 367.313 g/mol |
| SMILES | C(OCC(Cl)Cl)(\C=C\C(OCCCCCCCCCCC)=O)=O |