| SpectraBase Compound ID | HCGgaVW7tIb |
|---|---|
| InChI | InChI=1S/C12H23ClO3/c1-11(7-9-15-2)10-16-12(14)6-4-3-5-8-13/h11H,3-10H2,1-2H3 |
| InChIKey | LGSOBKQSTTXLJH-UHFFFAOYSA-N |
| Mol Weight | 250.77 g/mol |
| Molecular Formula | C12H23ClO3 |
| Exact Mass | 250.133572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbjHMHshdc2 |
|---|---|
| Name | 6-Chlorohexanoic acid, 4-methoxy-2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.133572298 u |
| Formula | C12H23ClO3 |
| InChI | InChI=1S/C12H23ClO3/c1-11(7-9-15-2)10-16-12(14)6-4-3-5-8-13/h11H,3-10H2,1-2H3 |
| InChIKey | LGSOBKQSTTXLJH-UHFFFAOYSA-N |
| Molecular Weight | 250.766 g/mol |
| SMILES | C(CCCCCCl)(=O)OCC(CCOC)C |