| SpectraBase Compound ID | 4dWxYips3mJ |
|---|---|
| InChI | InChI=1S/C17H17ClO2/c1-11(2)14-10-12(3)8-9-16(14)20-17(19)13-6-4-5-7-15(13)18/h4-11H,1-3H3 |
| InChIKey | PLNBTNDQLVLXNJ-UHFFFAOYSA-N |
| Mol Weight | 288.77 g/mol |
| Molecular Formula | C17H17ClO2 |
| Exact Mass | 288.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsH64CBM4XR |
|---|---|
| Name | Benzoic acid, 2-chloro-, 2-isopropyl-4-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.091707485 u |
| Formula | C17H17ClO2 |
| InChI | InChI=1S/C17H17ClO2/c1-11(2)14-10-12(3)8-9-16(14)20-17(19)13-6-4-5-7-15(13)18/h4-11H,1-3H3 |
| InChIKey | PLNBTNDQLVLXNJ-UHFFFAOYSA-N |
| SMILES | C1(C(OC2=CC=C(C)C=C2C(C)C)=O)=CC=CC=C1Cl |