| SpectraBase Compound ID | HQDYj8KcvkV |
|---|---|
| InChI | InChI=1S/C17H21Cl3O4/c1-2-3-4-5-9-23-15(21)7-6-8-16(22)24-12-10-13(18)17(20)14(19)11-12/h10-11H,2-9H2,1H3 |
| InChIKey | PXVYQJPBSQVZFA-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 | 7iE0BTVZRtt |
|---|---|
| Name | Glutaric acid, hexyl 3,4,5-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/c1-2-3-4-5-9-23-15(21)7-6-8-16(22)24-12-10-13(18)17(20)14(19)11-12/h10-11H,2-9H2,1H3 |
| InChIKey | PXVYQJPBSQVZFA-UHFFFAOYSA-N |
| Molecular Weight | 395.710 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC(=C(C(=C1)Cl)Cl)Cl)=O)=O |