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7-Bromo-1,2,3,4-tetrafluorophenoxathiine

View entire compound with spectra: 1 FTIR

7-Bromo-1,2,3,4-tetrafluorophenoxathiine
SpectraBase Compound ID CJJjwW45GS9
InChI InChI=1S/C12H3BrF4OS/c13-4-1-2-6-5(3-4)18-11-9(16)7(14)8(15)10(17)12(11)19-6/h1-3H
InChIKey FZYWIFDFXOWLNK-UHFFFAOYSA-N
Mol Weight 351.11 g/mol
Molecular Formula C12H3BrF4OS
Exact Mass 349.902412 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L61KVpgsaCi
Name 7-Bromo-1,2,3,4-tetrafluorophenoxathiine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.902411542 u
Formula C12H3BrF4OS
InChI InChI=1S/C12H3BrF4OS/c13-4-1-2-6-5(3-4)18-11-9(16)7(14)8(15)10(17)12(11)19-6/h1-3H
InChIKey FZYWIFDFXOWLNK-UHFFFAOYSA-N
Molecular Weight 351.113 g/mol
SMILES C1(=C(C(=C2C(=C1F)SC=1C(O2)=CC(Br)=CC1)F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812535