| SpectraBase Compound ID | 7V2tJlJ2Dyf |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | YBRVJNBUZZRJDV-UHFFFAOYSA-N |
| Mol Weight | 226.7 g/mol |
| Molecular Formula | C12H15ClO2 |
| Exact Mass | 226.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVIRvYdwKgr |
|---|---|
| Name | 4-Chlorobenzoic acid, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.076057421 u |
| Formula | C12H15ClO2 |
| InChI | InChI=1S/C12H15ClO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | YBRVJNBUZZRJDV-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCC(C)C)=O)Cl |