| SpectraBase Compound ID | DWt6Lk7knFQ |
|---|---|
| InChI | InChI=1S/C13H21ClO4/c1-2-17-12(15)7-8-13(16)18-9-10-5-3-4-6-11(10)14/h10-11H,2-9H2,1H3 |
| InChIKey | XTAUCWXZZRSMEF-UHFFFAOYSA-N |
| Mol Weight | 276.76 g/mol |
| Molecular Formula | C13H21ClO4 |
| Exact Mass | 276.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54OSDQI7H2F |
|---|---|
| Name | Succinic acid, 2-chlorocyclohexylmethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.112836852 u |
| Formula | C13H21ClO4 |
| InChI | InChI=1S/C13H21ClO4/c1-2-17-12(15)7-8-13(16)18-9-10-5-3-4-6-11(10)14/h10-11H,2-9H2,1H3 |
| InChIKey | XTAUCWXZZRSMEF-UHFFFAOYSA-N |
| SMILES | CCOC(CCC(OCC1C(CCCC1)Cl)=O)=O |