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N-(Tert-butyl)-N'-(3-fluorophenyl)thiourea

View entire compound with spectra: 1 NMR, and 1 FTIR

N-(Tert-butyl)-N'-(3-fluorophenyl)thiourea
SpectraBase Compound ID CENvhiR4oua
InChI InChI=1S/C11H15FN2S/c1-11(2,3)14-10(15)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKey UCNUGBFWAWHKAV-UHFFFAOYSA-N
Mol Weight 226.31 g/mol
Molecular Formula C11H15FN2S
Exact Mass 226.093998 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GBfBq6VeQOT
Name N-(Tert-butyl)-N'-(3-fluorophenyl)thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.093997828 u
Formula C11H15FN2S
InChI InChI=1S/C11H15FN2S/c1-11(2,3)14-10(15)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKey UCNUGBFWAWHKAV-UHFFFAOYSA-N
Molecular Weight 226.313 g/mol
SMILES C(NC(C)(C)C)(NC1=CC(F)=CC=C1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848183