| SpectraBase Compound ID | 7JXpwwgUsvR |
|---|---|
| InChI | InChI=1S/C10H15Cl3O4/c1-2-16-8(14)5-3-4-6-9(15)17-7-10(11,12)13/h2-7H2,1H3 |
| InChIKey | NEAFJDMKYTVQND-UHFFFAOYSA-N |
| Mol Weight | 305.59 g/mol |
| Molecular Formula | C10H15Cl3O4 |
| Exact Mass | 304.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2313lIRjZe |
|---|---|
| Name | Adipic acid, ethyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.003592059 u |
| Formula | C10H15Cl3O4 |
| InChI | InChI=1S/C10H15Cl3O4/c1-2-16-8(14)5-3-4-6-9(15)17-7-10(11,12)13/h2-7H2,1H3 |
| InChIKey | NEAFJDMKYTVQND-UHFFFAOYSA-N |
| Molecular Weight | 305.585 g/mol |
| SMILES | C(CCCCC(OCC(Cl)(Cl)Cl)=O)(OCC)=O |