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Carbamothioic acid, [[(4-methoxybenzoyl)amino](methylthio)methylene]-, S-methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Carbamothioic acid, [[(4-methoxybenzoyl)amino](methylthio)methylene]-, S-methyl ester
SpectraBase Compound ID 3dQQzZcNb01
InChI InChI=1S/C12H14N2O3S2/c1-17-9-6-4-8(5-7-9)10(15)13-11(18-2)14-12(16)19-3/h4-7H,1-3H3,(H,13,14,15,16)
InChIKey SCVMBJFZKNVYMF-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C12H14N2O3S2
Exact Mass 298.044585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eTcxiln53M
Name Carbamothioic acid, [[(4-methoxybenzoyl)amino](methylthio)methylene]-, S-methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.044584664 u
Formula C12H14N2O3S2
InChI InChI=1S/C12H14N2O3S2/c1-17-9-6-4-8(5-7-9)10(15)13-11(18-2)14-12(16)19-3/h4-7H,1-3H3,(H,13,14,15,16)
InChIKey SCVMBJFZKNVYMF-UHFFFAOYSA-N
Molecular Weight 298.375 g/mol
SMILES CS\C(=N/C(=O)C1=CC=C(OC)C=C1)NC(=O)SC