| SpectraBase Compound ID | ArIgipbUP0N |
|---|---|
| InChI | InChI=1S/C17H29ClO4/c1-2-3-14-21-16(19)11-10-12-17(20)22-15-9-7-5-4-6-8-13-18/h2-3H,4-15H2,1H3/b3-2+ |
| InChIKey | FOMSFXVXNRUAKS-NSCUHMNNSA-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 | 3mmU1KKyr40 |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl but-2-en-1-yl 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/c1-2-3-14-21-16(19)11-10-12-17(20)22-15-9-7-5-4-6-8-13-18/h2-3H,4-15H2,1H3/b3-2+ |
| InChIKey | FOMSFXVXNRUAKS-NSCUHMNNSA-N |
| Molecular Weight | 332.868 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC\C=C\C)=O |