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N-(Tert-butyl)-N'-(3-methylphenyl)carbamimidothioic acid

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

N-(Tert-butyl)-N'-(3-methylphenyl)carbamimidothioic acid
SpectraBase Compound ID 3Ou8PdaOROG
InChI InChI=1S/C12H18N2S/c1-9-6-5-7-10(8-9)13-11(15)14-12(2,3)4/h5-8H,1-4H3,(H2,13,14,15)
InChIKey HPFIURSGTADZBZ-UHFFFAOYSA-N
Mol Weight 222.35 g/mol
Molecular Formula C12H18N2S
Exact Mass 222.11907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4ctXzFGt1Xa
Name N-(Tert-butyl)-N'-(3-methylphenyl)carbamimidothioic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.119069762 u
Formula C12H18N2S
InChI InChI=1S/C12H18N2S/c1-9-6-5-7-10(8-9)13-11(15)14-12(2,3)4/h5-8H,1-4H3,(H2,13,14,15)
InChIKey HPFIURSGTADZBZ-UHFFFAOYSA-N
Molecular Weight 222.350 g/mol
SMILES C(=S)(NC(C)(C)C)NC1=CC(=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924947