| SpectraBase Compound ID | 6I8GPLlcnjC |
|---|---|
| InChI | InChI=1S/C22H20O2/c1-15-9-11-18(12-10-15)20-14-16(2)13-19(21(20)22(23)24-3)17-7-5-4-6-8-17/h4-14H,1-3H3 |
| InChIKey | SAJLDNBVEUFTBP-UHFFFAOYSA-N |
| Mol Weight | 316.4 g/mol |
| Molecular Formula | C22H20O2 |
| Exact Mass | 316.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRzm1frSdyS |
|---|---|
| Name | Methyl 4,5'-dimethyl-1,1';3',1''-terphenyl-2'-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.146329882 u |
| Formula | C22H20O2 |
| InChI | InChI=1S/C22H20O2/c1-15-9-11-18(12-10-15)20-14-16(2)13-19(21(20)22(23)24-3)17-7-5-4-6-8-17/h4-14H,1-3H3 |
| InChIKey | SAJLDNBVEUFTBP-UHFFFAOYSA-N |
| Molecular Weight | 316.400 g/mol |
| SMILES | C=1(C(C2=CC=C(C=C2)C)=CC(=CC1C1=CC=CC=C1)C)C(=O)OC |