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Sedoheptulose anhydride tetrakis(trifluoroacetyl) ester
SpectraBase Compound ID 5E6ug832xHE
InChI InChI=1S/C15H8F12O10/c16-12(17,18)7(28)32-2-11-6(36-10(31)15(25,26)27)5(35-9(30)14(22,23)24)4(3(37-11)1-33-11)34-8(29)13(19,20)21/h3-6H,1-2H2
InChIKey VCHXIICHXXVBPM-UHFFFAOYSA-N
Mol Weight 576.2 g/mol
Molecular Formula C15H8F12O10
Exact Mass 575.992584 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8oVFwcFKVfc
Name Sedoheptulose anhydride tetrakis(trifluoroacetyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 575.992584404 u
Formula C15H8F12O10
InChI InChI=1S/C15H8F12O10/c16-12(17,18)7(28)32-2-11-6(36-10(31)15(25,26)27)5(35-9(30)14(22,23)24)4(3(37-11)1-33-11)34-8(29)13(19,20)21/h3-6H,1-2H2
InChIKey VCHXIICHXXVBPM-UHFFFAOYSA-N
Molecular Weight 576.200 g/mol
SMILES C12C(C(C(C(O2)(OC1)COC(=O)C(F)(F)F)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906738