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Acetyl syringic heptafluorobutyric anhydride

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Acetyl syringic heptafluorobutyric anhydride
SpectraBase Compound ID 72JHZwO8NwG
InChI InChI=1S/C15H11F7O7/c1-6(23)28-10-8(26-2)4-7(5-9(10)27-3)11(24)29-12(25)13(16,17)14(18,19)15(20,21)22/h4-5H,1-3H3
InChIKey JDXACCNTCXQBOH-UHFFFAOYSA-N
Mol Weight 436.23 g/mol
Molecular Formula C15H11F7O7
Exact Mass 436.0393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4vMMVSuoyOe
Name Acetyl syringic heptafluorobutyric anhydride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.039299828 u
Formula C15H11F7O7
InChI InChI=1S/C15H11F7O7/c1-6(23)28-10-8(26-2)4-7(5-9(10)27-3)11(24)29-12(25)13(16,17)14(18,19)15(20,21)22/h4-5H,1-3H3
InChIKey JDXACCNTCXQBOH-UHFFFAOYSA-N
Molecular Weight 436.235 g/mol
SMILES C1(=C(C(=CC(=C1)C(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O)OC)OC(C)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844824