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Ethyl 4-{[(ethylamino)carbothioyl]amino}benzoate

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

Ethyl 4-{[(ethylamino)carbothioyl]amino}benzoate
SpectraBase Compound ID 9Qn9VHOMiqZ
InChI InChI=1S/C12H16N2O2S/c1-3-13-12(17)14-10-7-5-9(6-8-10)11(15)16-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14,17)
InChIKey WIGNKAZCTOXTLY-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C12H16N2O2S
Exact Mass 252.093249 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1WoUzsmRSZN
Name Ethyl 4-{[(ethylamino)carbothioyl]amino}benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.093248935 u
Formula C12H16N2O2S
InChI InChI=1S/C12H16N2O2S/c1-3-13-12(17)14-10-7-5-9(6-8-10)11(15)16-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14,17)
InChIKey WIGNKAZCTOXTLY-UHFFFAOYSA-N
Molecular Weight 252.332 g/mol
SMILES C(=S)(NCC)NC1=CC=C(C=C1)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.895436