| SpectraBase Compound ID | 5HmifVe6P1d |
|---|---|
| InChI | InChI=1S/C17H25ClO3/c1-2-3-4-5-6-7-8-13-20-17(19)14-21-16-11-9-15(18)10-12-16/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | HMSKSBRSCVSHCI-UHFFFAOYSA-N |
| Mol Weight | 312.84 g/mol |
| Molecular Formula | C17H25ClO3 |
| Exact Mass | 312.149222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1nNgi0fkRLJ |
|---|---|
| Name | Acetic acid, (4-chlorophenoxy)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.149222362 u |
| Formula | C17H25ClO3 |
| InChI | InChI=1S/C17H25ClO3/c1-2-3-4-5-6-7-8-13-20-17(19)14-21-16-11-9-15(18)10-12-16/h9-12H,2-8,13-14H2,1H3 |
| InChIKey | HMSKSBRSCVSHCI-UHFFFAOYSA-N |
| Molecular Weight | 312.837 g/mol |
| SMILES | C(C(OCCCCCCCCC)=O)OC1=CC=C(C=C1)Cl |