| SpectraBase Compound ID | CR3hIVTh2Gt |
|---|---|
| InChI | InChI=1S/C14H19ClO3/c1-11(2)4-3-9-17-14(16)10-18-13-7-5-12(15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey | RYWXAVANZWBQKP-UHFFFAOYSA-N |
| Mol Weight | 270.76 g/mol |
| Molecular Formula | C14H19ClO3 |
| Exact Mass | 270.102272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LkDvVHnXEV |
|---|---|
| Name | Acetic acid, (4-chlorophenoxy)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.102272169 u |
| Formula | C14H19ClO3 |
| InChI | InChI=1S/C14H19ClO3/c1-11(2)4-3-9-17-14(16)10-18-13-7-5-12(15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey | RYWXAVANZWBQKP-UHFFFAOYSA-N |
| SMILES | C(C(OCCCC(C)C)=O)OC1=CC=C(C=C1)Cl |