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6-Bromo-4-(trifluoromethyl)benzo[D]thiazole-2(3H)-thione, N-methyl

View entire compound with spectra: 1 FTIR

6-Bromo-4-(trifluoromethyl)benzo[D]thiazole-2(3H)-thione, N-methyl
SpectraBase Compound ID 71pdOXV5oA5
InChI InChI=1S/C9H5BrF3NS2/c1-14-7-5(9(11,12)13)2-4(10)3-6(7)16-8(14)15/h2-3H,1H3
InChIKey SGDLKUFMPUXIAX-UHFFFAOYSA-N
Mol Weight 328.17 g/mol
Molecular Formula C9H5BrF3NS2
Exact Mass 326.899889 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID raEik5AyR5
Name 6-Bromo-4-(trifluoromethyl)benzo[D]thiazole-2(3H)-thione, N-methyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.899889002 u
Formula C9H5BrF3NS2
InChI InChI=1S/C9H5BrF3NS2/c1-14-7-5(9(11,12)13)2-4(10)3-6(7)16-8(14)15/h2-3H,1H3
InChIKey SGDLKUFMPUXIAX-UHFFFAOYSA-N
Molecular Weight 328.165 g/mol
SMILES C1(SC=2C(N1C)=C(C=C(C2)Br)C(F)(F)F)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910189