| SpectraBase Compound ID | 6GVOPqy1hdr |
|---|---|
| InChI | InChI=1S/C16H27ClO4/c1-2-3-13-20-15(18)10-11-16(19)21-14-9-7-5-4-6-8-12-17/h10-11H,2-9,12-14H2,1H3/b11-10+ |
| InChIKey | PARYJXJJOSFHMQ-ZHACJKMWSA-N |
| Mol Weight | 318.84 g/mol |
| Molecular Formula | C16H27ClO4 |
| Exact Mass | 318.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbOCQtSwsmF |
|---|---|
| Name | Fumaric acid, butyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.159787045 u |
| Formula | C16H27ClO4 |
| InChI | InChI=1S/C16H27ClO4/c1-2-3-13-20-15(18)10-11-16(19)21-14-9-7-5-4-6-8-12-17/h10-11H,2-9,12-14H2,1H3/b11-10+ |
| InChIKey | PARYJXJJOSFHMQ-ZHACJKMWSA-N |
| Molecular Weight | 318.841 g/mol |
| SMILES | C(\C=C\C(OCCCC)=O)(OCCCCCCCCCl)=O |