| SpectraBase Compound ID | 88PFGw7RdRt |
|---|---|
| InChI | InChI=1S/C18H19ClO2/c1-18(2,3)17(20)21-16-10-9-15(19)12-14(16)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 |
| InChIKey | PILJJRGMAGLVEX-UHFFFAOYSA-N |
| Mol Weight | 302.8 g/mol |
| Molecular Formula | C18H19ClO2 |
| Exact Mass | 302.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 260JUbE1JC7 |
|---|---|
| Name | Clorofene, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.107357550 u |
| Formula | C18H19ClO2 |
| InChI | InChI=1S/C18H19ClO2/c1-18(2,3)17(20)21-16-10-9-15(19)12-14(16)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 |
| InChIKey | PILJJRGMAGLVEX-UHFFFAOYSA-N |
| Molecular Weight | 302.801 g/mol |
| SMILES | C1(Cl)=CC(=C(C=C1)OC(C(C)(C)C)=O)CC1=CC=CC=C1 |