| SpectraBase Compound ID | 2HTrO1t9eNG |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-14(2)13-24-20(22)16-9-5-6-10-17(16)21(23)26-19-12-8-7-11-18(19)25-15(3)4/h5-12,14-15H,13H2,1-4H3 |
| InChIKey | OWTYDLWAMASFSN-UHFFFAOYSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C21H24O5 |
| Exact Mass | 356.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ag9DWemgbye |
|---|---|
| Name | Phthalic acid, isobutyl 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.162373868 u |
| Formula | C21H24O5 |
| InChI | InChI=1S/C21H24O5/c1-14(2)13-24-20(22)16-9-5-6-10-17(16)21(23)26-19-12-8-7-11-18(19)25-15(3)4/h5-12,14-15H,13H2,1-4H3 |
| InChIKey | OWTYDLWAMASFSN-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | CC(C)COC(C1=C(C(=O)OC2=C(C=CC=C2)OC(C)C)C=CC=C1)=O |