| SpectraBase Compound ID | AaLc40mkU4k |
|---|---|
| InChI | InChI=1S/C18H21Cl5O4/c1-2-3-4-5-6-10-26-11(24)8-7-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h2-10H2,1H3 |
| InChIKey | OEKJGOADKAMYDC-UHFFFAOYSA-N |
| Mol Weight | 478.6 g/mol |
| Molecular Formula | C18H21Cl5O4 |
| Exact Mass | 475.988248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 593LEC2S2RJ |
|---|---|
| Name | Glutaric acid, heptyl pentachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 475.988247652 u |
| Formula | C18H21Cl5O4 |
| InChI | InChI=1S/C18H21Cl5O4/c1-2-3-4-5-6-10-26-11(24)8-7-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h2-10H2,1H3 |
| InChIKey | OEKJGOADKAMYDC-UHFFFAOYSA-N |
| Molecular Weight | 478.627 g/mol |
| SMILES | CCCCCCCOC(CCCC(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)=O |