| SpectraBase Compound ID | 5rNo0mqe4Kc |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-3-6-12(2)11-22-15(20)9-5-10-16(21)23-14-8-4-7-13(18)17(14)19/h4,7-8,12H,3,5-6,9-11H2,1-2H3 |
| InChIKey | NUSNATZQLMROTL-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C17H22Cl2O4 |
| Exact Mass | 360.089515 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 | 5U4yBGrb82q |
|---|---|
| Name | Glutaric acid, 2,3-dichlorophenyl 2-methylpentyl 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/c1-3-6-12(2)11-22-15(20)9-5-10-16(21)23-14-8-4-7-13(18)17(14)19/h4,7-8,12H,3,5-6,9-11H2,1-2H3 |
| InChIKey | NUSNATZQLMROTL-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OCC(CCC)C)=O |