| SpectraBase Compound ID | 7xiJbKUb0wq |
|---|---|
| InChI | InChI=1S/C17H19Cl5O4/c1-3-4-5-6-9(2)25-10(23)7-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,3-8H2,1-2H3 |
| InChIKey | HPKKANURHIOVMQ-UHFFFAOYSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C17H19Cl5O4 |
| Exact Mass | 461.972598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58jCnZAKIvV |
|---|---|
| Name | Succinic acid, hept-2-yl 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/c1-3-4-5-6-9(2)25-10(23)7-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,3-8H2,1-2H3 |
| InChIKey | HPKKANURHIOVMQ-UHFFFAOYSA-N |
| Molecular Weight | 464.600 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC=1C(=C(C(=C(C1Cl)Cl)Cl)Cl)Cl)=O |