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Saccharose 8TFA
SpectraBase Compound ID 8FBkHbwdldV
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
InChIKey JEYVUSAJXQVRII-UHFFFAOYSA-N
Mol Weight 1110.36 g/mol
Molecular Formula C28H14F24O19
Exact Mass 1109.974604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wSkSeVx4AN
Name Saccharose 8TFA
Classification Sugar
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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
InChIKey JEYVUSAJXQVRII-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 1110.363 g/mol
SMILES C1(OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F)(OC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F)COC(=O)C(F)(F)F
SPLASH splash10-014i-9845000000-c91f13cad4623152aeb6
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_5788