2,2,3,3,4,4,4-Heptafluoro-N-[4-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenoxy]phenyl]butanamide

SpectraBase Compound ID	2Oox4CdahI2
InChI	InChI=1S/C20H10F14N2O3/c21-15(22,17(25,26)19(29,30)31)13(37)35-9-1-5-11(6-2-9)39-12-7-3-10(4-8-12)36-14(38)16(23,24)18(27,28)20(32,33)34/h1-8H,(H,35,37)(H,36,38)
InChIKey	KFAJHDFIPWBVRA-UHFFFAOYSA-N Google Search
Mol Weight	592.29 g/mol
Molecular Formula	C20H10F14N2O3
Exact Mass	592.046786 g/mol

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SpectraBase Spectrum ID	C8jTOuNCLr7
Name	2,2,3,3,4,4,4-Heptafluoro-N-[4-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenoxy]phenyl]butanamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	592.046786469 u
Formula	C20H10F14N2O3
InChI	InChI=1S/C20H10F14N2O3/c21-15(22,17(25,26)19(29,30)31)13(37)35-9-1-5-11(6-2-9)39-12-7-3-10(4-8-12)36-14(38)16(23,24)18(27,28)20(32,33)34/h1-8H,(H,35,37)(H,36,38)
InChIKey	KFAJHDFIPWBVRA-UHFFFAOYSA-N
Molecular Weight	592.289 g/mol
SMILES	C1=CC(NC(C(F)(C(F)(F)C(F)(F)F)F)=O)=CC=C1OC1=CC=C(C=C1)NC(=O)C(F)(C(F)(C(F)(F)F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR)	0.87858