| SpectraBase Compound ID | 4r6XTJpcoF5 |
|---|---|
| InChI | InChI=1S/C9H11ClO3/c1-3-7(2)13-9(12)6-4-5-8(10)11/h1,7H,4-6H2,2H3 |
| InChIKey | SDRKDDWJROHQEO-UHFFFAOYSA-N |
| Mol Weight | 202.64 g/mol |
| Molecular Formula | C9H11ClO3 |
| Exact Mass | 202.039672 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 | GNx318nQYWO |
|---|---|
| Name | Glutaric acid, monochloride, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.039671911 u |
| Formula | C9H11ClO3 |
| InChI | InChI=1S/C9H11ClO3/c1-3-7(2)13-9(12)6-4-5-8(10)11/h1,7H,4-6H2,2H3 |
| InChIKey | SDRKDDWJROHQEO-UHFFFAOYSA-N |
| Molecular Weight | 202.637 g/mol |
| SMILES | C#CC(OC(CCCC(Cl)=O)=O)C |