| SpectraBase Compound ID | HzqkmtGhB1H |
|---|---|
| InChI | InChI=1S/C13H21Cl3O4/c1-2-3-6-9-19-11(17)7-4-5-8-12(18)20-10-13(14,15)16/h2-10H2,1H3 |
| InChIKey | IOYNASRZSJQINR-UHFFFAOYSA-N |
| Mol Weight | 347.67 g/mol |
| Molecular Formula | C13H21Cl3O4 |
| Exact Mass | 346.050542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GSda7qvnudB |
|---|---|
| Name | Adipic acid, pentyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.050542252 u |
| Formula | C13H21Cl3O4 |
| InChI | InChI=1S/C13H21Cl3O4/c1-2-3-6-9-19-11(17)7-4-5-8-12(18)20-10-13(14,15)16/h2-10H2,1H3 |
| InChIKey | IOYNASRZSJQINR-UHFFFAOYSA-N |
| Molecular Weight | 347.666 g/mol |
| SMILES | C(CCCCC(OCC(Cl)(Cl)Cl)=O)(OCCCCC)=O |