| SpectraBase Compound ID | uIIwKZ3A7n |
|---|---|
| InChI | InChI=1S/C15H13ClO2/c1-11(17)18-15-8-7-14(16)10-13(15)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 |
| InChIKey | DCEFDSSOWLDAFR-UHFFFAOYSA-N |
| Mol Weight | 260.72 g/mol |
| Molecular Formula | C15H13ClO2 |
| Exact Mass | 260.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JR33aNK8TXk |
|---|---|
| Name | Clorofene, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.060407357 u |
| Formula | C15H13ClO2 |
| InChI | InChI=1S/C15H13ClO2/c1-11(17)18-15-8-7-14(16)10-13(15)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3 |
| InChIKey | DCEFDSSOWLDAFR-UHFFFAOYSA-N |
| Molecular Weight | 260.720 g/mol |
| SMILES | C1(Cl)=CC(=C(C=C1)OC(C)=O)CC1=CC=CC=C1 |