| SpectraBase Compound ID | LC2fJ0CICoy |
|---|---|
| InChI | InChI=1S/C13H23ClO4/c1-3-4-9-17-12(15)7-5-6-8-13(16)18-10-11(2)14/h11H,3-10H2,1-2H3 |
| InChIKey | GUVRUDLWCSXQOI-UHFFFAOYSA-N |
| Mol Weight | 278.78 g/mol |
| Molecular Formula | C13H23ClO4 |
| Exact Mass | 278.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmjYZCm0srq |
|---|---|
| Name | Adipic acid, butyl 2-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.128486917 u |
| Formula | C13H23ClO4 |
| InChI | InChI=1S/C13H23ClO4/c1-3-4-9-17-12(15)7-5-6-8-13(16)18-10-11(2)14/h11H,3-10H2,1-2H3 |
| InChIKey | GUVRUDLWCSXQOI-UHFFFAOYSA-N |
| Molecular Weight | 278.776 g/mol |
| SMILES | C(CCCC(=O)OCC(C)Cl)C(OCCCC)=O |