![4-[2-(3,3-Dimethylbutyl)phenoxy]-1-butanol](/api/spectrum/6aIOnzBa7ir/structure.png?h=300&w=458 "4-[2-(3,3-Dimethylbutyl)phenoxy]-1-butanol")
| SpectraBase Compound ID | AmPPah3uIIT |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-16(2,3)11-10-14-8-4-5-9-15(14)18-13-7-6-12-17/h4-5,8-9,17H,6-7,10-13H2,1-3H3 |
| InChIKey | WMEFTWUIROIFDC-UHFFFAOYSA-N |
| Mol Weight | 250.38 g/mol |
| Molecular Formula | C16H26O2 |
| Exact Mass | 250.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aIOnzBa7ir |
|---|---|
| Name | 4-[2-(3,3-Dimethylbutyl)phenoxy]-1-butanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.193280075 u |
| Formula | C16H26O2 |
| InChI | InChI=1S/C16H26O2/c1-16(2,3)11-10-14-8-4-5-9-15(14)18-13-7-6-12-17/h4-5,8-9,17H,6-7,10-13H2,1-3H3 |
| InChIKey | WMEFTWUIROIFDC-UHFFFAOYSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | C=1(C(OCCCCO)=CC=CC1)CCC(C)(C)C |