| SpectraBase Compound ID | C0fUnvDiVhX |
|---|---|
| InChI | InChI=1S/C11H21ClO2/c1-10(2)7-9-14-11(13)6-4-3-5-8-12/h10H,3-9H2,1-2H3 |
| InChIKey | NDBJAENHHLJARY-UHFFFAOYSA-N |
| Mol Weight | 220.74 g/mol |
| Molecular Formula | C11H21ClO2 |
| Exact Mass | 220.123008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5DbQwSYRqp |
|---|---|
| Name | 6-Chlorohexanoic acid, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.123007614 u |
| Formula | C11H21ClO2 |
| InChI | InChI=1S/C11H21ClO2/c1-10(2)7-9-14-11(13)6-4-3-5-8-12/h10H,3-9H2,1-2H3 |
| InChIKey | NDBJAENHHLJARY-UHFFFAOYSA-N |
| Molecular Weight | 220.740 g/mol |
| SMILES | C(CCCCCCl)(=O)OCCC(C)C |