| SpectraBase Compound ID | Aqif6yrNqSl |
|---|---|
| InChI | InChI=1S/C14H19ClO2/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3 |
| InChIKey | ZGRCQXNQOQBZGF-UHFFFAOYSA-N |
| Mol Weight | 254.76 g/mol |
| Molecular Formula | C14H19ClO2 |
| Exact Mass | 254.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8y41u7P24OY |
|---|---|
| Name | 4-Chlorobenzoic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.107357550 u |
| Formula | C14H19ClO2 |
| InChI | InChI=1S/C14H19ClO2/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3 |
| InChIKey | ZGRCQXNQOQBZGF-UHFFFAOYSA-N |
| Molecular Weight | 254.757 g/mol |
| SMILES | CCCCCCCOC(=O)C=1C=CC(Cl)=CC1 |