| SpectraBase Compound ID | 5yeoYhObGow |
|---|---|
| InChI | InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-7-8-9-13-27-19(25)11-10-12-20(26)28-21-17(23)14-16(22)15-18(21)24/h14-15H,2-13H2,1H3 |
| InChIKey | XPVRPVFBJRTMSH-UHFFFAOYSA-N |
| Mol Weight | 451.82 g/mol |
| Molecular Formula | C21H29Cl3O4 |
| Exact Mass | 450.113143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tyKryZFBp1 |
|---|---|
| Name | Glutaric acid, decyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.113142510 u |
| Formula | C21H29Cl3O4 |
| InChI | InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-7-8-9-13-27-19(25)11-10-12-20(26)28-21-17(23)14-16(22)15-18(21)24/h14-15H,2-13H2,1H3 |
| InChIKey | XPVRPVFBJRTMSH-UHFFFAOYSA-N |
| Molecular Weight | 451.818 g/mol |
| SMILES | CCCCCCCCCCOC(CCCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)=O |