| SpectraBase Compound ID | 8nyCWAl33y0 |
|---|---|
| InChI | InChI=1S/C18H24Cl2O4/c1-2-3-4-5-6-13-23-16(21)11-8-12-17(22)24-15-10-7-9-14(19)18(15)20/h7,9-10H,2-6,8,11-13H2,1H3 |
| InChIKey | YRWKKSOXHBZPRR-UHFFFAOYSA-N |
| Mol Weight | 375.29 g/mol |
| Molecular Formula | C18H24Cl2O4 |
| Exact Mass | 374.105165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cZAl4YkLCK |
|---|---|
| Name | Glutaric acid, 2,3-dichlorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.105164649 u |
| Formula | C18H24Cl2O4 |
| InChI | InChI=1S/C18H24Cl2O4/c1-2-3-4-5-6-13-23-16(21)11-8-12-17(22)24-15-10-7-9-14(19)18(15)20/h7,9-10H,2-6,8,11-13H2,1H3 |
| InChIKey | YRWKKSOXHBZPRR-UHFFFAOYSA-N |
| Molecular Weight | 375.292 g/mol |
| SMILES | CCCCCCCOC(CCCC(OC1=CC=CC(=C1Cl)Cl)=O)=O |