| SpectraBase Compound ID | 7C40jCiKXTN |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-17(2)7-6-16-25-21(23)14-15-22(24)26-20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-16H2,1-2H3 |
| InChIKey | YGCLQCYDQNDGIZ-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 | Jh2HeKCRlfb |
|---|---|
| Name | Succinic acid, 4-biphenyl isohexyl 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)7-6-16-25-21(23)14-15-22(24)26-20-12-10-19(11-13-20)18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-16H2,1-2H3 |
| InChIKey | YGCLQCYDQNDGIZ-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(C(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCCCC(C)C)=O |