| SpectraBase Compound ID | 2t9ujV8zYie |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-12(2)6-5-11-22-15(20)9-4-10-16(21)23-17-13(18)7-3-8-14(17)19/h3,7-8,12H,4-6,9-11H2,1-2H3 |
| InChIKey | OTHBCYABNYWBIR-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 | 3R80kT8KCXH |
|---|---|
| Name | Glutaric acid, 2,6-dichlorophenyl isohexyl 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/c1-12(2)6-5-11-22-15(20)9-4-10-16(21)23-17-13(18)7-3-8-14(17)19/h3,7-8,12H,4-6,9-11H2,1-2H3 |
| InChIKey | OTHBCYABNYWBIR-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=C(C=CC=C1Cl)Cl)=O)=O |