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Pinosylvin, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR, and 1 FTIR

Pinosylvin, bis(pentafluoropropionate)
SpectraBase Compound ID K79fP5jMsOV
InChI InChI=1S/C20H10F10O4/c21-17(22,19(25,26)27)15(31)33-13-8-12(7-6-11-4-2-1-3-5-11)9-14(10-13)34-16(32)18(23,24)20(28,29)30/h1-10H/b7-6+
InChIKey VBOUMTSCOOFFMU-VOTSOKGWSA-N
Mol Weight 504.28 g/mol
Molecular Formula C20H10F10O4
Exact Mass 504.04194 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HvCBxIDAXZ6
Name Pinosylvin, bis(pentafluoropropionate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.041940428 u
Formula C20H10F10O4
InChI InChI=1S/C20H10F10O4/c21-17(22,19(25,26)27)15(31)33-13-8-12(7-6-11-4-2-1-3-5-11)9-14(10-13)34-16(32)18(23,24)20(28,29)30/h1-10H/b7-6+
InChIKey VBOUMTSCOOFFMU-VOTSOKGWSA-N
Molecular Weight 504.280 g/mol
SMILES C1(\C=C\C2=CC(OC(C(C(F)(F)F)(F)F)=O)=CC(=C2)OC(C(C(F)(F)F)(F)F)=O)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951953