| SpectraBase Compound ID | ATkVaKs6h4H |
|---|---|
| InChI | InChI=1S/C49H74F6O6/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-38-43(61-45(57)47(59-4,49(53,54)55)41-35-30-26-31-36-41)39-42(37-27-8-6-2)60-44(56)46(58-3,48(50,51)52)40-33-28-25-29-34-40/h25-26,28-31,33-36,42-43H,5-24,27,32,37-39H2,1-4H3/t42-,43+,46?,47+/m0/s1 |
| InChIKey | PWONMHYMJKIOBX-ZTBPULIFSA-N |
| Mol Weight | 873.1 g/mol |
| Molecular Formula | C49H74F6O6 |
| Exact Mass | 872.538959 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ftjryDpVw |
|---|---|
| Name | (6S,8R)-Nonacosane-6,8-diol (S)-bis-MTPA Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C49H74F6O6 |
| InChI | InChI=1S/C49H74F6O6/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-38-43(61-45(57)47(59-4,49(53,54)55)41-35-30-26-31-36-41)39-42(37-27-8-6-2)60-44(56)46(58-3,48(50,51)52)40-33-28-25-29-34-40/h25-26,28-31,33-36,42-43H,5-24,27,32,37-39H2,1-4H3/t42-,43+,46?,47+/m0/s1 |
| InChIKey | PWONMHYMJKIOBX-ZTBPULIFSA-N |
| Molecular Weight | 873.115 g/mol |
| SMILES | C(C(O[C@](C[C@](OC([C@@](C(F)(F)F)(c1ccccc1)OC)=O)(CCCCCCCCCCCCCCCCCCCCC)[H])(CCCCC)[H])=O)(C(F)(F)F)(c1ccccc1)OC |
| SPLASH | splash10-000j-9800302000-5d2d198a29a137806e37 |
| Source of Spectrum | E2-48-1189-3 |
| Wiley ID | 1555308 |