| SpectraBase Compound ID | JxOWETcXqUj |
|---|---|
| InChI | InChI=1S/C28H14F24O19/c29-21(30,31)12(53)61-1-4-6(65-15(56)24(38,39)40)8(67-17(58)26(44,45)46)9(68-18(59)27(47,48)49)11(64-4)71-20(3-63-14(55)23(35,36)37)10(69-19(60)28(50,51)52)7(66-16(57)25(41,42)43)5(70-20)2-62-13(54)22(32,33)34/h4-11H,1-3H2/t4?,5-,6-,7-,8?,9?,10+,11?,20+/m1/s1 |
| InChIKey | JEYVUSAJXQVRII-SSZCAOITSA-N |
| Mol Weight | 1110.36 g/mol |
| Molecular Formula | C28H14F24O19 |
| Exact Mass | 1109.974604 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L5YKPY1dahK |
|---|---|
| Name | Saccharose 8TFA |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 1109.974604124 u |
| Formula | C28H14F24O19 |
| InChI | InChI=1S/C28H14F24O19/c29-21(30,31)12(53)61-1-4-6(65-15(56)24(38,39)40)8(67-17(58)26(44,45)46)9(68-18(59)27(47,48)49)11(64-4)71-20(3-63-14(55)23(35,36)37)10(69-19(60)28(50,51)52)7(66-16(57)25(41,42)43)5(70-20)2-62-13(54)22(32,33)34/h4-11H,1-3H2/t4?,5-,6-,7-,8?,9?,10+,11?,20+/m1/s1 |
| InChIKey | JEYVUSAJXQVRII-SSZCAOITSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 1110.363 g/mol |
| Nominal Mass | 1110 u |
| Quality | 989 |
| Retention Index | 7639 |
| SMILES | [C@]1([C@]([C@@]([C@](O1)(COC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])(OC1C(C([C@@](C(O1)COC(C(F)(F)F)=O)(OC(C(F)(F)F)=O)[H])OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O |
| SPLASH | splash10-014i-9656000000-d2264ae270a2d32750b2 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | (3R,4R)-6-((3,4-bis((trifluoroacetyl)oxy)-2,5-bis(((trifluoroacetyl)oxy)methyl)oxolan-2-yl)oxy)-4,5-\rbis((trifluoroacetyl)oxy)-2-(((trifluoroacetyl)oxy)methyl)oxan-3-yl trifluoroacetate |
| Technique | GC/MS |
| Wiley ID | DD2024_029635 |