| SpectraBase Compound ID | IDxYf3Ak68p |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-2-3-4-8-17-25-21(23)15-16-22(24)26-20-13-11-19(12-14-20)18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15-17H2,1H3 |
| InChIKey | KTKFCTVRFCXMBB-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 | 5t4HMkbmIEu |
|---|---|
| Name | Succinic acid, 4-biphenyl hexyl 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/c1-2-3-4-8-17-25-21(23)15-16-22(24)26-20-13-11-19(12-14-20)18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15-17H2,1H3 |
| InChIKey | KTKFCTVRFCXMBB-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C(C(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCCCCCC)=O |