| SpectraBase Compound ID | JLihgWBZqVw |
|---|---|
| InChI | InChI=1S/C17H21Cl3O4/c1-2-3-6-9-23-15(21)7-4-5-8-16(22)24-14-11-12(18)10-13(19)17(14)20/h10-11H,2-9H2,1H3 |
| InChIKey | YQYWLJCJWMTIHR-UHFFFAOYSA-N |
| Mol Weight | 395.71 g/mol |
| Molecular Formula | C17H21Cl3O4 |
| Exact Mass | 394.050542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5tunYoIQc1 |
|---|---|
| Name | Adipic acid, pentyl 2,3,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.050542252 u |
| Formula | C17H21Cl3O4 |
| InChI | InChI=1S/C17H21Cl3O4/c1-2-3-6-9-23-15(21)7-4-5-8-16(22)24-14-11-12(18)10-13(19)17(14)20/h10-11H,2-9H2,1H3 |
| InChIKey | YQYWLJCJWMTIHR-UHFFFAOYSA-N |
| Molecular Weight | 395.710 g/mol |
| SMILES | C(CCCC(OC1=CC(=CC(=C1Cl)Cl)Cl)=O)C(OCCCCC)=O |