| SpectraBase Compound ID | FWEpSxFbzMH |
|---|---|
| InChI | InChI=1S/C17H18Cl2O4/c1-3-6-14(4-2)22-16(20)7-5-8-17(21)23-15-10-12(18)9-13(19)11-15/h9-11,14H,4-5,7-8H2,1-2H3 |
| InChIKey | VBDCSPGUQGHTOA-UHFFFAOYSA-N |
| Mol Weight | 357.23 g/mol |
| Molecular Formula | C17H18Cl2O4 |
| Exact Mass | 356.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4YmAbSI6FSp |
|---|---|
| Name | Glutaric acid, hex-4-yn-3-yl 3,5-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/c1-3-6-14(4-2)22-16(20)7-5-8-17(21)23-15-10-12(18)9-13(19)11-15/h9-11,14H,4-5,7-8H2,1-2H3 |
| InChIKey | VBDCSPGUQGHTOA-UHFFFAOYSA-N |
| Molecular Weight | 357.233 g/mol |
| SMILES | C(CCC(OC(CC)C#CC)=O)C(OC1=CC(=CC(=C1)Cl)Cl)=O |