| SpectraBase Compound ID | D2oUxjmYV64 |
|---|---|
| InChI | InChI=1S/C18H31ClO4/c1-16(2)15-23-18(21)12-11-17(20)22-14-10-8-6-4-3-5-7-9-13-19/h11-12,16H,3-10,13-15H2,1-2H3/b12-11+ |
| InChIKey | PEYWTQAYPGMLGO-VAWYXSNFSA-N |
| Mol Weight | 346.9 g/mol |
| Molecular Formula | C18H31ClO4 |
| Exact Mass | 346.191087 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 | F2BluYk43OW |
|---|---|
| Name | Fumaric acid, 10-chlorodecyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.191087174 u |
| Formula | C18H31ClO4 |
| InChI | InChI=1S/C18H31ClO4/c1-16(2)15-23-18(21)12-11-17(20)22-14-10-8-6-4-3-5-7-9-13-19/h11-12,16H,3-10,13-15H2,1-2H3/b12-11+ |
| InChIKey | PEYWTQAYPGMLGO-VAWYXSNFSA-N |
| Molecular Weight | 346.895 g/mol |
| SMILES | C(OCCCCCCCCCCCl)(\C=C\C(OCC(C)C)=O)=O |