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2-Fluorobenzenethiol, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

2-Fluorobenzenethiol, S-pentafluoropropionyl-
SpectraBase Compound ID 2WfQ96ibatI
InChI InChI=1S/C9H4F6OS/c10-5-3-1-2-4-6(5)17-7(16)8(11,12)9(13,14)15/h1-4H
InChIKey DUUDVMVYQOLRCS-UHFFFAOYSA-N
Mol Weight 274.18 g/mol
Molecular Formula C9H4F6OS
Exact Mass 273.988705 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3M9Z2qsA76r
Name 2-Fluorobenzenethiol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.988704900 u
Formula C9H4F6OS
InChI InChI=1S/C9H4F6OS/c10-5-3-1-2-4-6(5)17-7(16)8(11,12)9(13,14)15/h1-4H
InChIKey DUUDVMVYQOLRCS-UHFFFAOYSA-N
Molecular Weight 274.180 g/mol
SMILES C1(F)=C(C=CC=C1)SC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934636