![4-(2'-Chloro-3'-methylpentyloxy]-phenol](/api/spectrum/H7nJ7fJ2dCC/structure.png?h=300&w=458 "4-(2'-Chloro-3'-methylpentyloxy]-phenol")
| SpectraBase Compound ID | GQE26LmrC67 |
|---|---|
| InChI | InChI=1S/C12H17ClO2/c1-3-9(2)12(13)8-15-11-6-4-10(14)5-7-11/h4-7,9,12,14H,3,8H2,1-2H3 |
| InChIKey | HFPOWLODGZXELK-UHFFFAOYSA-N |
| Mol Weight | 228.72 g/mol |
| Molecular Formula | C12H17ClO2 |
| Exact Mass | 228.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7nJ7fJ2dCC |
|---|---|
| Name | 4-(2'-Chloro-3'-methylpentyloxy]-phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.091707485 u |
| Formula | C12H17ClO2 |
| InChI | InChI=1S/C12H17ClO2/c1-3-9(2)12(13)8-15-11-6-4-10(14)5-7-11/h4-7,9,12,14H,3,8H2,1-2H3 |
| InChIKey | HFPOWLODGZXELK-UHFFFAOYSA-N |
| Molecular Weight | 228.719 g/mol |
| SMILES | C(OC=1C=CC(=CC1)O)C(Cl)C(CC)C |