| SpectraBase Compound ID | wyqxHD96kF |
|---|---|
| InChI | InChI=1S/C47H70F6O6/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-36-41(59-43(55)45(57-4,47(51,52)53)39-33-28-24-29-34-39)37-40(35-25-8-6-2)58-42(54)44(56-3,46(48,49)50)38-31-26-23-27-32-38/h23-24,26-29,31-34,40-41H,5-22,25,30,35-37H2,1-4H3/t40-,41+,44?,45+/m0/s1 |
| InChIKey | JJDFJHVBNRAWKZ-BFAYXUKVSA-N |
| Mol Weight | 845.1 g/mol |
| Molecular Formula | C47H70F6O6 |
| Exact Mass | 844.507659 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KhkelC8friY |
|---|---|
| Name | (6S,8R)-Heptacosane-6,8-diol (S)-bis-MTPA Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C47H70F6O6 |
| InChI | InChI=1S/C47H70F6O6/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-36-41(59-43(55)45(57-4,47(51,52)53)39-33-28-24-29-34-39)37-40(35-25-8-6-2)58-42(54)44(56-3,46(48,49)50)38-31-26-23-27-32-38/h23-24,26-29,31-34,40-41H,5-22,25,30,35-37H2,1-4H3/t40-,41+,44?,45+/m0/s1 |
| InChIKey | JJDFJHVBNRAWKZ-BFAYXUKVSA-N |
| Molecular Weight | 845.061 g/mol |
| SMILES | C(C(O[C@](C[C@](OC([C@@](C(F)(F)F)(c1ccccc1)OC)=O)(CCCCCCCCCCCCCCCCCCC)[H])(CCCCC)[H])=O)(C(F)(F)F)(c1ccccc1)OC |
| SPLASH | splash10-000b-9804003000-256989bff30c179155af |
| Source of Spectrum | E2-48-1188-1 |
| Wiley ID | 1555309 |