| SpectraBase Compound ID | rZzASFQDAr |
|---|---|
| InChI | InChI=1S/C21H35ClO4/c1-3-14-19(4-2)26-21(24)16-13-15-20(23)25-18-12-10-8-6-5-7-9-11-17-22/h19H,4-13,15-18H2,1-2H3 |
| InChIKey | XADLJHUICPGKFR-UHFFFAOYSA-N |
| Mol Weight | 387.0 g/mol |
| Molecular Formula | C21H35ClO4 |
| Exact Mass | 386.222387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYsUe04pvhU |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 10-chlorodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.222387303 u |
| Formula | C21H35ClO4 |
| InChI | InChI=1S/C21H35ClO4/c1-3-14-19(4-2)26-21(24)16-13-15-20(23)25-18-12-10-8-6-5-7-9-11-17-22/h19H,4-13,15-18H2,1-2H3 |
| InChIKey | XADLJHUICPGKFR-UHFFFAOYSA-N |
| Molecular Weight | 386.960 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)C(OC(CC)C#CC)=O |