![[4-(1,1-Dimethylethyl)phenoxy]acetyl chloride](/api/spectrum/Lld4UhcPTta/structure.png?h=300&w=458 "[4-(1,1-Dimethylethyl)phenoxy]acetyl chloride")
| SpectraBase Compound ID | 5dMs1dM6llL |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3 |
| InChIKey | CFTNMBDQWVPSHI-UHFFFAOYSA-N |
| Mol Weight | 226.7 g/mol |
| Molecular Formula | C12H15ClO2 |
| Exact Mass | 226.076057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lld4UhcPTta |
|---|---|
| Name | [4-(1,1-Dimethylethyl)phenoxy]acetyl chloride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.076057421 u |
| Formula | C12H15ClO2 |
| InChI | InChI=1S/C12H15ClO2/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3 |
| InChIKey | CFTNMBDQWVPSHI-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C1=CC(C(C)(C)C)=CC=C1OCC(Cl)=O |