| SpectraBase Compound ID | 151qWv5tnql |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-12(2)11-21-16(19)14-9-7-8-10-15(14)17(20)22-13(3)18(4,5)6/h7-10,12-13H,11H2,1-6H3 |
| InChIKey | FYVGFDNOHPOTNO-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2GJrLquQm0 |
|---|---|
| Name | Phthalic acid, 3,3-dimethylbut-2-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-12(2)11-21-16(19)14-9-7-8-10-15(14)17(20)22-13(3)18(4,5)6/h7-10,12-13H,11H2,1-6H3 |
| InChIKey | FYVGFDNOHPOTNO-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC=CC(=C1C(OC(C(C)(C)C)C)=O)C(OCC(C)C)=O |