| SpectraBase Compound ID | 64srriXj3xV |
|---|---|
| InChI | InChI=1S/C13H17ClO2/c1-3-4-10(2)9-16-13(15)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey | VBWQVDIFHIRPBD-UHFFFAOYSA-N |
| Mol Weight | 240.73 g/mol |
| Molecular Formula | C13H17ClO2 |
| Exact Mass | 240.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEzob0bBtJE |
|---|---|
| Name | 4-Chlorobenzoic acid, 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.091707485 u |
| Formula | C13H17ClO2 |
| InChI | InChI=1S/C13H17ClO2/c1-3-4-10(2)9-16-13(15)11-5-7-12(14)8-6-11/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey | VBWQVDIFHIRPBD-UHFFFAOYSA-N |
| Molecular Weight | 240.730 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OCC(CCC)C)Cl |