| SpectraBase Compound ID | 9cRZvgYvOr5 |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-3-7-12(4-2)22-15(20)10-6-11-16(21)23-14-9-5-8-13(18)17(14)19/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3 |
| InChIKey | MCCCZKBYYTZNAX-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C17H22Cl2O4 |
| Exact Mass | 360.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32mBydT1b4A |
|---|---|
| Name | Glutaric acid, 2,3-dichlorophenyl 3-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.089514584 u |
| Formula | C17H22Cl2O4 |
| InChI | InChI=1S/C17H22Cl2O4/c1-3-7-12(4-2)22-15(20)10-6-11-16(21)23-14-9-5-8-13(18)17(14)19/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3 |
| InChIKey | MCCCZKBYYTZNAX-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC(CCC)CC)=O |