| SpectraBase Compound ID | ZCb1c508cD |
|---|---|
| InChI | InChI=1S/C17H27ClO4/c1-3-15(2)22-17(20)12-10-11-16(19)21-14-9-7-5-4-6-8-13-18/h1,15H,4-14H2,2H3 |
| InChIKey | JWRZEMBOPTYJLN-UHFFFAOYSA-N |
| Mol Weight | 330.85 g/mol |
| Molecular Formula | C17H27ClO4 |
| Exact Mass | 330.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVXmddsqiro |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.159787045 u |
| Formula | C17H27ClO4 |
| InChI | InChI=1S/C17H27ClO4/c1-3-15(2)22-17(20)12-10-11-16(19)21-14-9-7-5-4-6-8-13-18/h1,15H,4-14H2,2H3 |
| InChIKey | JWRZEMBOPTYJLN-UHFFFAOYSA-N |
| Molecular Weight | 330.852 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCCCCCCCCCl)=O |