| SpectraBase Compound ID | 3Z3M9YjT2R1 |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-4-14(11(2)3)22-16(20)6-5-7-17(21)23-15-9-8-12(18)10-13(15)19/h8-11,14H,4-7H2,1-3H3 |
| InChIKey | ZFJGULOECOQARA-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 | Eui4Yq1v0fG |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 2,4-dichlorophenyl 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/c1-4-14(11(2)3)22-16(20)6-5-7-17(21)23-15-9-8-12(18)10-13(15)19/h8-11,14H,4-7H2,1-3H3 |
| InChIKey | ZFJGULOECOQARA-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC=1C(=CC(=CC1)Cl)Cl)=O |