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4-Chloro-2-fluorobenzenemethanethiol, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

4-Chloro-2-fluorobenzenemethanethiol, S-pentafluoropropionyl-
SpectraBase Compound ID Hr2vEfC3MKI
InChI InChI=1S/C10H5ClF6OS/c11-6-2-1-5(7(12)3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2
InChIKey AAWPOPNLNJFCJZ-UHFFFAOYSA-N
Mol Weight 322.65 g/mol
Molecular Formula C10H5ClF6OS
Exact Mass 321.965383 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LCoRz6IpxRt
Name 4-Chloro-2-fluorobenzenemethanethiol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.965382632 u
Formula C10H5ClF6OS
InChI InChI=1S/C10H5ClF6OS/c11-6-2-1-5(7(12)3-6)4-19-8(18)9(13,14)10(15,16)17/h1-3H,4H2
InChIKey AAWPOPNLNJFCJZ-UHFFFAOYSA-N
Molecular Weight 322.652 g/mol
SMILES C1(F)=C(C=CC(=C1)Cl)CSC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950913