| SpectraBase Compound ID | 2FyQoMxdoZE |
|---|---|
| InChI | InChI=1S/C18H23Cl3O4/c1-3-4-5-7-12(2)24-16(22)8-6-9-17(23)25-15-11-13(19)10-14(20)18(15)21/h10-12H,3-9H2,1-2H3 |
| InChIKey | OCUYYTHHXRTWJI-UHFFFAOYSA-N |
| Mol Weight | 409.74 g/mol |
| Molecular Formula | C18H23Cl3O4 |
| Exact Mass | 408.066192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZNdUpGst8Q |
|---|---|
| Name | Glutaric acid, hept-2-yl 2,3,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.066192317 u |
| Formula | C18H23Cl3O4 |
| InChI | InChI=1S/C18H23Cl3O4/c1-3-4-5-7-12(2)24-16(22)8-6-9-17(23)25-15-11-13(19)10-14(20)18(15)21/h10-12H,3-9H2,1-2H3 |
| InChIKey | OCUYYTHHXRTWJI-UHFFFAOYSA-N |
| Molecular Weight | 409.737 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1=C(C(=CC(=C1)Cl)Cl)Cl)=O |