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N,N-dimethyl-4-(trifluoromethyl)benzothioamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N,N-dimethyl-4-(trifluoromethyl)benzothioamide
SpectraBase Compound ID HSOMPq0vAJa
InChI InChI=1S/C10H10F3NS/c1-14(2)9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6H,1-2H3
InChIKey DQCCCMOVOMNZHS-UHFFFAOYSA-N
Mol Weight 233.25 g/mol
Molecular Formula C10H10F3NS
Exact Mass 233.048605 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7gVxSkuHVFb
Name N,N-Dimethyl-4-(trifluoromethyl)benzothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.048604989 u
Formula C10H10F3NS
InChI InChI=1S/C10H10F3NS/c1-14(2)9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6H,1-2H3
InChIKey DQCCCMOVOMNZHS-UHFFFAOYSA-N
Molecular Weight 233.252 g/mol
SMILES C(C=1C=CC(=CC1)C(F)(F)F)(N(C)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880067