| SpectraBase Compound ID | 1ey3ZlAEMBy |
|---|---|
| InChI | InChI=1S/C17H29ClO4/c1-2-3-9-14-21-16(19)11-12-17(20)22-15-10-7-5-4-6-8-13-18/h11-12H,2-10,13-15H2,1H3/b12-11+ |
| InChIKey | YQMHYKJAOJMLTC-VAWYXSNFSA-N |
| Mol Weight | 332.87 g/mol |
| Molecular Formula | C17H29ClO4 |
| Exact Mass | 332.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VieFt0YPX8 |
|---|---|
| Name | Fumaric acid, 8-chlorooctyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.175437110 u |
| Formula | C17H29ClO4 |
| InChI | InChI=1S/C17H29ClO4/c1-2-3-9-14-21-16(19)11-12-17(20)22-15-10-7-5-4-6-8-13-18/h11-12H,2-10,13-15H2,1H3/b12-11+ |
| InChIKey | YQMHYKJAOJMLTC-VAWYXSNFSA-N |
| Molecular Weight | 332.868 g/mol |
| SMILES | C(\C=C\C(OCCCCC)=O)(OCCCCCCCCCl)=O |