| SpectraBase Compound ID | JPpIcPjHNX2 |
|---|---|
| InChI | InChI=1S/C17H19Cl5O4/c1-4-5-6-7-8-25-15(23)17(2,3)16(24)26-14-12(21)10(19)9(18)11(20)13(14)22/h4-8H2,1-3H3 |
| InChIKey | JBSWAYORSIHUHR-UHFFFAOYSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C17H19Cl5O4 |
| Exact Mass | 461.972598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4OqsQInMh0S |
|---|---|
| Name | Dimethylmalonic acid, hexyl pentachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.972597588 u |
| Formula | C17H19Cl5O4 |
| InChI | InChI=1S/C17H19Cl5O4/c1-4-5-6-7-8-25-15(23)17(2,3)16(24)26-14-12(21)10(19)9(18)11(20)13(14)22/h4-8H2,1-3H3 |
| InChIKey | JBSWAYORSIHUHR-UHFFFAOYSA-N |
| Molecular Weight | 464.600 g/mol |
| SMILES | CCCCCCOC(=O)C(C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)(C)C |