| SpectraBase Compound ID | 9xCGRmci2Pb |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-15(2)13-25-21(23)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22(24)26-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3 |
| InChIKey | GWQSAHACEYLGRM-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aw98qXQ4eW |
|---|---|
| Name | Diphenic acid, diisobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-15(2)13-25-21(23)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22(24)26-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3 |
| InChIKey | GWQSAHACEYLGRM-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1=CC(=C(C=C1)C=1C(=CC=CC1)C(=O)OCC(C)C)C(=O)OCC(C)C |