| SpectraBase Compound ID | 3H92wzjHWrx |
|---|---|
| InChI | InChI=1S/C16H17Cl3O4/c1-10(2)6-7-22-14(20)4-3-5-15(21)23-16-12(18)8-11(17)9-13(16)19/h8-9H,1,3-7H2,2H3 |
| InChIKey | QPJFBFXCSRLLRP-UHFFFAOYSA-N |
| Mol Weight | 379.67 g/mol |
| Molecular Formula | C16H17Cl3O4 |
| Exact Mass | 378.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Z6n0msDOjb |
|---|---|
| Name | Glutaric acid, 2,4,6-trichlorophenyl 3-methylbut-3-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.019242123 u |
| Formula | C16H17Cl3O4 |
| InChI | InChI=1S/C16H17Cl3O4/c1-10(2)6-7-22-14(20)4-3-5-15(21)23-16-12(18)8-11(17)9-13(16)19/h8-9H,1,3-7H2,2H3 |
| InChIKey | QPJFBFXCSRLLRP-UHFFFAOYSA-N |
| Molecular Weight | 379.667 g/mol |
| SMILES | C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OCCC(C)=C)=O |