| SpectraBase Compound ID | 4SRZ2vr9x4u |
|---|---|
| InChI | InChI=1S/C17H17ClO2/c1-11(2)13-8-7-12(3)16(10-13)20-17(19)14-5-4-6-15(18)9-14/h4-11H,1-3H3 |
| InChIKey | KEMOSUJANIQPNM-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 | FTnorj446to |
|---|---|
| Name | 5-Isopropyl-2-methylphenyl 3-chlorobenzoate |
| 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)13-8-7-12(3)16(10-13)20-17(19)14-5-4-6-15(18)9-14/h4-11H,1-3H3 |
| InChIKey | KEMOSUJANIQPNM-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C(=C1)OC(C1=CC=CC(=C1)Cl)=O)C)C(C)C |