| SpectraBase Compound ID | 6y1D8ZzAmL7 |
|---|---|
| InChI | InChI=1S/C17H31ClO4/c1-2-3-14-21-16(19)11-10-12-17(20)22-15-9-7-5-4-6-8-13-18/h2-15H2,1H3 |
| InChIKey | RSXFAAFVNKZGHL-UHFFFAOYSA-N |
| Mol Weight | 334.88 g/mol |
| Molecular Formula | C17H31ClO4 |
| Exact Mass | 334.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJS2G58qJi2 |
|---|---|
| Name | Glutaric acid, butyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.191087174 u |
| Formula | C17H31ClO4 |
| InChI | InChI=1S/C17H31ClO4/c1-2-3-14-21-16(19)11-10-12-17(20)22-15-9-7-5-4-6-8-13-18/h2-15H2,1H3 |
| InChIKey | RSXFAAFVNKZGHL-UHFFFAOYSA-N |
| Molecular Weight | 334.884 g/mol |
| SMILES | CCCCOC(CCCC(OCCCCCCCCCl)=O)=O |