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Benzoic acid, 2-(pentafluoropropionylthio)-

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Benzoic acid, 2-(pentafluoropropionylthio)-
SpectraBase Compound ID 28g113nnln
InChI InChI=1S/C10H5F5O3S/c11-9(12,10(13,14)15)8(18)19-6-4-2-1-3-5(6)7(16)17/h1-4H,(H,16,17)
InChIKey YRBAQAKFRVVTMH-UHFFFAOYSA-N
Mol Weight 300.2 g/mol
Molecular Formula C10H5F5O3S
Exact Mass 299.987956 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LKWsHZXl8yA
Name Benzoic acid, 2-(pentafluoropropionylthio)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.987956007 u
Formula C10H5F5O3S
InChI InChI=1S/C10H5F5O3S/c11-9(12,10(13,14)15)8(18)19-6-4-2-1-3-5(6)7(16)17/h1-4H,(H,16,17)
InChIKey YRBAQAKFRVVTMH-UHFFFAOYSA-N
Molecular Weight 300.199 g/mol
SMILES C1=CC=CC(=C1C(=O)O)SC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844244