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N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,3,3,4,4,4-heptafluorobutanamide)
SpectraBase Compound ID DrZrUMhRM4f
InChI InChI=1S/C21H10Cl2F14N2O2/c22-10-6-8(1-3-12(10)38-14(40)16(24,25)18(28,29)20(32,33)34)5-9-2-4-13(11(23)7-9)39-15(41)17(26,27)19(30,31)21(35,36)37/h1-4,6-7H,5H2,(H,38,40)(H,39,41)
InChIKey FTWLUZZOWSUZJK-UHFFFAOYSA-N
Mol Weight 659.21 g/mol
Molecular Formula C21H10Cl2F14N2O2
Exact Mass 657.989577 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HT8RgHxy9tX
Name N,N'-[Methylenebis(2-chloro-4,1-phenylene)]bis(2,2,3,3,4,4,4-heptafluorobutanamide)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 657.989577250 u
Formula C21H10Cl2F14N2O2
InChI InChI=1S/C21H10Cl2F14N2O2/c22-10-6-8(1-3-12(10)38-14(40)16(24,25)18(28,29)20(32,33)34)5-9-2-4-13(11(23)7-9)39-15(41)17(26,27)19(30,31)21(35,36)37/h1-4,6-7H,5H2,(H,38,40)(H,39,41)
InChIKey FTWLUZZOWSUZJK-UHFFFAOYSA-N
Molecular Weight 659.207 g/mol
SMILES C1(=C(C=CC(=C1)CC1=CC(Cl)=C(C=C1)NC(C(F)(C(F)(C(F)(F)F)F)F)=O)NC(C(F)(C(F)(C(F)(F)F)F)F)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879879