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2(3H)-Benzothiazolethione, 4-bromo-6-(trifluoromethyl)-

View entire compound with spectra: 1 FTIR

2(3H)-Benzothiazolethione, 4-bromo-6-(trifluoromethyl)-
SpectraBase Compound ID 4H9eXrB3enR
InChI InChI=1S/C8H3BrF3NS2/c9-4-1-3(8(10,11)12)2-5-6(4)13-7(14)15-5/h1-2H,(H,13,14)
InChIKey HAIZUSNDTLOTKR-UHFFFAOYSA-N
Mol Weight 314.14 g/mol
Molecular Formula C8H3BrF3NS2
Exact Mass 312.884239 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1RD2fu1Flz5
Name 2(3H)-Benzothiazolethione, 4-bromo-6-(trifluoromethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.884238938 u
Formula C8H3BrF3NS2
InChI InChI=1S/C8H3BrF3NS2/c9-4-1-3(8(10,11)12)2-5-6(4)13-7(14)15-5/h1-2H,(H,13,14)
InChIKey HAIZUSNDTLOTKR-UHFFFAOYSA-N
Molecular Weight 314.138 g/mol
SMILES C1(Br)=C2C(=CC(=C1)C(F)(F)F)SC(N2)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81645