![Butanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-](/api/spectrum/AEeTbHelIrM/structure.png?h=300&w=458 "Butanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-")
| SpectraBase Compound ID | XhWOYILJa7 |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22) |
| InChIKey | PHCYXPLSQNMCRY-UHFFFAOYSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEeTbHelIrM |
|---|---|
| Name | Butanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.235144887 u |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22) |
| InChIKey | PHCYXPLSQNMCRY-UHFFFAOYSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | C(OC1=C(C(CC)(C)C)C=C(C=C1)C(CC)(C)C)(C(O)=O)CC |