| SpectraBase Compound ID | KIlMGfL6DWU |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-2-3-10-20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h4,6-7H,2-3,5,8-10H2,1H3 |
| InChIKey | NSCWKJVJQZKOCN-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7k3jwLWuLy6 |
|---|---|
| Name | Glutaric acid, butyl 2,6-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-2-3-10-20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h4,6-7H,2-3,5,8-10H2,1H3 |
| InChIKey | NSCWKJVJQZKOCN-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | CCCCOC(CCCC(OC1=C(C=CC=C1Cl)Cl)=O)=O |