| SpectraBase Compound ID | 1tJumet0Lh6 |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-17(2)16-25-21(23)14-8-9-15-22(24)26-20-13-7-6-12-19(20)18-10-4-3-5-11-18/h3-7,10-13,17H,8-9,14-16H2,1-2H3 |
| InChIKey | IAGKAPDBTXOHPE-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 | CrgKL4WTwGH |
|---|---|
| Name | Adipic acid, isobutyl 2-phenylphenyl 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/c1-17(2)16-25-21(23)14-8-9-15-22(24)26-20-13-7-6-12-19(20)18-10-4-3-5-11-18/h3-7,10-13,17H,8-9,14-16H2,1-2H3 |
| InChIKey | IAGKAPDBTXOHPE-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1(=CC=CC=C1)C1=C(C=CC=C1)OC(=O)CCCCC(OCC(C)C)=O |