![2-[3',7',11',15,19',23',27',31'-Octamethyldotriaconta-2',6',10',14',18',22',26',30'-octaenyl]-4-methoxyphenol](/api/spectrum/B79kSJCxuj4/structure.png?h=300&w=458 "2-[3',7',11',15,19',23',27',31'-Octamethyldotriaconta-2',6',10',14',18',22',26',30'-octaenyl]-4-methoxyphenol")
| SpectraBase Compound ID | F1eJP9H2BfN |
|---|---|
| InChI | InChI=1S/C47H72O2/c1-37(2)18-11-19-38(3)20-12-21-39(4)22-13-23-40(5)24-14-25-41(6)26-15-27-42(7)28-16-29-43(8)30-17-31-44(9)32-33-45-36-46(49-10)34-35-47(45)48/h18,20,22,24,26,28,30,32,34-36,48H,11-17,19,21,23,25,27,29,31,33H2,1-10H3/b38-20+,39-22+,40-24+,41-26+,42-28+,43-30+,44-32+ |
| InChIKey | UHGNQIRYIXOUSJ-FCAYRHHRSA-N |
| Mol Weight | 669.1 g/mol |
| Molecular Formula | C47H72O2 |
| Exact Mass | 668.553232 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B79kSJCxuj4 |
|---|---|
| Name | 2-[3',7',11',15,19',23',27',31'-Octamethyldotriaconta-2',6',10',14',18',22',26',30'-octaenyl]-4-methoxyphenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 668.553231556 u |
| Formula | C47H72O2 |
| InChI | InChI=1S/C47H72O2/c1-37(2)18-11-19-38(3)20-12-21-39(4)22-13-23-40(5)24-14-25-41(6)26-15-27-42(7)28-16-29-43(8)30-17-31-44(9)32-33-45-36-46(49-10)34-35-47(45)48/h18,20,22,24,26,28,30,32,34-36,48H,11-17,19,21,23,25,27,29,31,33H2,1-10H3/b38-20+,39-22+,40-24+,41-26+,42-28+,43-30+,44-32+ |
| InChIKey | UHGNQIRYIXOUSJ-FCAYRHHRSA-N |
| SMILES | C=1(C(=CC=C(C1)OC)O)C\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)C |