| SpectraBase Compound ID | FJNrB4Admqz |
|---|---|
| InChI | InChI=1S/C17H21Cl3O4/c1-3-4-6-11(2)23-15(21)7-5-8-16(22)24-17-13(19)9-12(18)10-14(17)20/h9-11H,3-8H2,1-2H3 |
| InChIKey | NRXPYGLBIMZDMQ-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 | AyNnHqtyzig |
|---|---|
| Name | Glutaric acid, 2,4,6-trichlorophenyl 2-hexyl 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/c1-3-4-6-11(2)23-15(21)7-5-8-16(22)24-17-13(19)9-12(18)10-14(17)20/h9-11H,3-8H2,1-2H3 |
| InChIKey | NRXPYGLBIMZDMQ-UHFFFAOYSA-N |
| Molecular Weight | 395.710 g/mol |
| SMILES | C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC(CCCC)C)=O |