| SpectraBase Compound ID | BBuCXkZeLcr |
|---|---|
| InChI | InChI=1S/C16H23ClO3/c1-3-4-5-6-7-10-19-16(18)12-20-15-9-8-14(17)11-13(15)2/h8-9,11H,3-7,10,12H2,1-2H3 |
| InChIKey | IPIROQWIFIFLDJ-UHFFFAOYSA-N |
| Mol Weight | 298.81 g/mol |
| Molecular Formula | C16H23ClO3 |
| Exact Mass | 298.133572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7klCsMRvi8B |
|---|---|
| Name | Acetic acid, (4-chloro-2-methylphenoxy)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.133572298 u |
| Formula | C16H23ClO3 |
| InChI | InChI=1S/C16H23ClO3/c1-3-4-5-6-7-10-19-16(18)12-20-15-9-8-14(17)11-13(15)2/h8-9,11H,3-7,10,12H2,1-2H3 |
| InChIKey | IPIROQWIFIFLDJ-UHFFFAOYSA-N |
| SMILES | C(C(=O)OCCCCCCC)OC=1C=CC(=CC1C)Cl |