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1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane

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1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
SpectraBase Compound ID Flz4Eon2StP
InChI InChI=1S/C14H6F24O/c15-3(7(19,11(27,28)29)12(30,31)32)5(17,9(21,22)23)1-39-2-6(18,10(24,25)26)4(16)8(20,13(33,34)35)14(36,37)38/h3-4H,1-2H2
InChIKey STPAUSJOKHVTEN-UHFFFAOYSA-N
Mol Weight 646.16 g/mol
Molecular Formula C14H6F24O
Exact Mass 646.003541 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LQEXz2syVBY
Name 1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 646.003540724 u
Formula C14H6F24O
InChI InChI=1S/C14H6F24O/c15-3(7(19,11(27,28)29)12(30,31)32)5(17,9(21,22)23)1-39-2-6(18,10(24,25)26)4(16)8(20,13(33,34)35)14(36,37)38/h3-4H,1-2H2
InChIKey STPAUSJOKHVTEN-UHFFFAOYSA-N
Molecular Weight 646.163 g/mol
SMILES C(C(C(C(F)(F)F)(COCC(C(C(C(F)(F)F)(C(F)(F)F)F)F)(C(F)(F)F)F)F)F)(C(F)(F)F)(C(F)(F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899189