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2,5-Dichlorobenzenethiol, S-heptafluorobutyryl-

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2,5-Dichlorobenzenethiol, S-heptafluorobutyryl-
SpectraBase Compound ID K4WvnbOicfT
InChI InChI=1S/C10H3Cl2F7OS/c11-4-1-2-5(12)6(3-4)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey JPULPOOWLDMUHY-UHFFFAOYSA-N
Mol Weight 375.09 g/mol
Molecular Formula C10H3Cl2F7OS
Exact Mass 373.916988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4atrBRMpBRz
Name 2,5-Dichlorobenzenethiol, S-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.916988431 u
Formula C10H3Cl2F7OS
InChI InChI=1S/C10H3Cl2F7OS/c11-4-1-2-5(12)6(3-4)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
InChIKey JPULPOOWLDMUHY-UHFFFAOYSA-N
Molecular Weight 375.088 g/mol
SMILES C1(SC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC(=C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934396