| SpectraBase Compound ID | DQ6LuwJVMK3 |
|---|---|
| InChI | InChI=1S/C19H31ClO4/c1-3-17(2)24-19(22)14-12-13-18(21)23-16-11-9-7-5-4-6-8-10-15-20/h1,17H,4-16H2,2H3 |
| InChIKey | XLATXYDPCOMELU-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 | KTvYXypJbi6 |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 10-chlorodecyl 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/c1-3-17(2)24-19(22)14-12-13-18(21)23-16-11-9-7-5-4-6-8-10-15-20/h1,17H,4-16H2,2H3 |
| InChIKey | XLATXYDPCOMELU-UHFFFAOYSA-N |
| Molecular Weight | 358.906 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)C(OC(C#C)C)=O |