| SpectraBase Compound ID | HcQrJFT4SLb |
|---|---|
| InChI | InChI=1S/C28H14F24O19/c29-21(30,31)13(53)61-1-3-5(7(67-16(56)24(38,39)40)10(70-19(59)27(47,48)49)12(64-3)71-20(60)28(50,51)52)65-11-9(69-18(58)26(44,45)46)8(68-17(57)25(41,42)43)6(66-15(55)23(35,36)37)4(63-11)2-62-14(54)22(32,33)34/h3-12H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10-,11+,12-/m0/s1 |
| InChIKey | MFWYGUKAOQCCKF-BNRTYTPOSA-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 | GXOyDzib0W8 |
|---|---|
| Name | Lactose 8TFA |
| Classification | Chemical |
| Comments | Spectrum verified by independent measurements in external laboratories |
| 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)13(53)61-1-3-5(7(67-16(56)24(38,39)40)10(70-19(59)27(47,48)49)12(64-3)71-20(60)28(50,51)52)65-11-9(69-18(58)26(44,45)46)8(68-17(57)25(41,42)43)6(66-15(55)23(35,36)37)4(63-11)2-62-14(54)22(32,33)34/h3-12H,1-2H2/t3-,4-,5-,6+,7+,8+,9-,10-,11+,12-/m0/s1 |
| InChIKey | MFWYGUKAOQCCKF-BNRTYTPOSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 1110.363 g/mol |
| Nominal Mass | 1110 u |
| Quality | 1000 |
| Retention Index | 7982 |
| SMILES | [C@@]1([C@]([C@@]([C@@](O[C@]1(COC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H])(O[C@@]1([C@]([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])(OC(C(F)(F)F)=O)[H])[H])[H] |
| SPLASH | splash10-014i-8935100000-f69382bede522a8e2161 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 2,3-bis((trifluoroacetyl)oxy)-6-(((trifluoroacetyl)oxy)methyl)-5-((3,4,5-tris((trifluoroacetyl)oxy)-\r6-(((trifluoroacetyl)oxy)methyl)oxan-2-yl)oxy)oxan-4-yl trifluoroacetate |
| Technique | GC/MS |
| Wiley ID | DD2024_007359 |