| SpectraBase Compound ID | 6ZRby9zcUY6 |
|---|---|
| InChI | InChI=1S/C17H16Cl2O2/c1-2-3-5-12-8-10-13(11-9-12)17(20)21-15-7-4-6-14(18)16(15)19/h4,6-11H,2-3,5H2,1H3 |
| InChIKey | CMKGDSUXIPDNOQ-UHFFFAOYSA-N |
| Mol Weight | 323.22 g/mol |
| Molecular Formula | C17H16Cl2O2 |
| Exact Mass | 322.052735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fGOUT1hcqT |
|---|---|
| Name | 4-Butylbenzoic acid, 2,3-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.052735153 u |
| Formula | C17H16Cl2O2 |
| InChI | InChI=1S/C17H16Cl2O2/c1-2-3-5-12-8-10-13(11-9-12)17(20)21-15-7-4-6-14(18)16(15)19/h4,6-11H,2-3,5H2,1H3 |
| InChIKey | CMKGDSUXIPDNOQ-UHFFFAOYSA-N |
| Molecular Weight | 323.219 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCC)(OC1=CC=CC(=C1Cl)Cl)=O |