| SpectraBase Compound ID | Lk1SzF31nbS |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-3-5-15-25-21(23)19-11-7-17(8-12-19)18-9-13-20(14-10-18)22(24)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3 |
| InChIKey | NLDGILPIGBAYHN-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 | 7QXM9FM3m8Z |
|---|---|
| Name | 4,4'-Biphenyldicarboxylic acid, dibutyl 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/c1-3-5-15-25-21(23)19-11-7-17(8-12-19)18-9-13-20(14-10-18)22(24)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3 |
| InChIKey | NLDGILPIGBAYHN-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C=1C(=CC=C(C1)C(OCCCC)=O)C=1C=CC(=CC1)C(OCCCC)=O |