| SpectraBase Compound ID | Dt3swfx0Mwt |
|---|---|
| InChI | InChI=1S/C17H18Cl2O4/c1-3-6-13(4-2)22-16(20)7-5-8-17(21)23-15-10-9-12(18)11-14(15)19/h9-11,13H,4-5,7-8H2,1-2H3 |
| InChIKey | HOBHANPJNYQAHI-UHFFFAOYSA-N |
| Mol Weight | 357.23 g/mol |
| Molecular Formula | C17H18Cl2O4 |
| Exact Mass | 356.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CL7xI8NEXXl |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 2,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.058214456 u |
| Formula | C17H18Cl2O4 |
| InChI | InChI=1S/C17H18Cl2O4/c1-3-6-13(4-2)22-16(20)7-5-8-17(21)23-15-10-9-12(18)11-14(15)19/h9-11,13H,4-5,7-8H2,1-2H3 |
| InChIKey | HOBHANPJNYQAHI-UHFFFAOYSA-N |
| Molecular Weight | 357.233 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC=1C(=CC(=CC1)Cl)Cl)=O |