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3,5,7,8-Tetrachloroundecafluoro-octanoic acid

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3,5,7,8-Tetrachloroundecafluoro-octanoic acid
SpectraBase Compound ID JSWA1rKbgMG
InChI InChI=1S/C8HCl4F11O2/c9-3(15,2(13,14)1(24)25)6(18,19)4(10,16)7(20,21)5(11,17)8(12,22)23/h(H,24,25)
InChIKey YSPJDMQUTGFRFK-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C8HCl4F11O2
Exact Mass 477.8555 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FzMyfLyPXCK
Name 3,5,7,8-Tetrachloroundecafluorooctanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.855499863 u
Formula C8HCl4F11O2
InChI InChI=1S/C8HCl4F11O2/c9-3(15,2(13,14)1(24)25)6(18,19)4(10,16)7(20,21)5(11,17)8(12,22)23/h(H,24,25)
InChIKey YSPJDMQUTGFRFK-UHFFFAOYSA-N
Molecular Weight 479.888 g/mol
SMILES OC(C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(F)Cl)(F)F)(F)Cl)(F)F)=O
Spectrum/Structure Validation Score (Raman) 0.96305