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Orcinol, bis(heptafluorobutyrate)

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Orcinol, bis(heptafluorobutyrate)
SpectraBase Compound ID 8qxfrNjF9Gq
InChI InChI=1S/C15H6F14O4/c1-5-2-6(32-8(30)10(16,17)12(20,21)14(24,25)26)4-7(3-5)33-9(31)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3
InChIKey PGQIVHHBVWPPRU-UHFFFAOYSA-N
Mol Weight 516.19 g/mol
Molecular Formula C15H6F14O4
Exact Mass 516.004253 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6K2f47TH5qQ
Name Orcinol, bis(heptafluorobutyrate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.004252951 u
Formula C15H6F14O4
InChI InChI=1S/C15H6F14O4/c1-5-2-6(32-8(30)10(16,17)12(20,21)14(24,25)26)4-7(3-5)33-9(31)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3
InChIKey PGQIVHHBVWPPRU-UHFFFAOYSA-N
Molecular Weight 516.187 g/mol
SMILES C1=C(C=C(C=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895277