| SpectraBase Compound ID | iAdPv0mP8J |
|---|---|
| InChI | InChI=1S/C14H23ClO3/c1-4-11(5-2)7-8-12(6-3)18-14(17)10-9-13(15)16/h9-12H,4-8H2,1-3H3/b10-9+ |
| InChIKey | UBFXSINOGNUITG-MDZDMXLPSA-N |
| Mol Weight | 274.79 g/mol |
| Molecular Formula | C14H23ClO3 |
| Exact Mass | 274.133572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DkmW48t8dQH |
|---|---|
| Name | Fumaric acid, monochloride, 6-ethyloct-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.133572298 u |
| Formula | C14H23ClO3 |
| InChI | InChI=1S/C14H23ClO3/c1-4-11(5-2)7-8-12(6-3)18-14(17)10-9-13(15)16/h9-12H,4-8H2,1-3H3/b10-9+ |
| InChIKey | UBFXSINOGNUITG-MDZDMXLPSA-N |
| Molecular Weight | 274.788 g/mol |
| SMILES | CCC(CC)CCC(OC(\C=C\C(Cl)=O)=O)CC |