| SpectraBase Compound ID | FzDmAXwP1Bt |
|---|---|
| InChI | InChI=1S/C19H31ClO4/c1-3-12-17(4-2)24-19(22)14-11-13-18(21)23-16-10-8-6-5-7-9-15-20/h17H,4-11,13-16H2,1-2H3 |
| InChIKey | CSLXNBVBLUZIRA-UHFFFAOYSA-N |
| Mol Weight | 358.91 g/mol |
| Molecular Formula | C19H31ClO4 |
| Exact Mass | 358.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INLAJHFNloc |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.191087174 u |
| Formula | C19H31ClO4 |
| InChI | InChI=1S/C19H31ClO4/c1-3-12-17(4-2)24-19(22)14-11-13-18(21)23-16-10-8-6-5-7-9-15-20/h17H,4-11,13-16H2,1-2H3 |
| InChIKey | CSLXNBVBLUZIRA-UHFFFAOYSA-N |
| Molecular Weight | 358.906 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OCCCCCCCCCl)=O |