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Benzoic acid, 2-[[[(2-thienylcarbonyl)amino]carbonothioyl]amino]-, methyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 2-[[[(2-thienylcarbonyl)amino]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID CJlAmeFwolN
InChI InChI=1S/C14H12N2O3S2/c1-19-13(18)9-5-2-3-6-10(9)15-14(20)16-12(17)11-7-4-8-21-11/h2-8H,1H3,(H2,15,16,17,20)
InChIKey OGTRRGBNCYYQRX-UHFFFAOYSA-N
Mol Weight 320.38 g/mol
Molecular Formula C14H12N2O3S2
Exact Mass 320.028935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3J2fZHYM7fh
Name Benzoic acid, 2-[[[(2-thienylcarbonyl)amino]carbonothioyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 320.028934599 u
Formula C14H12N2O3S2
InChI InChI=1S/C14H12N2O3S2/c1-19-13(18)9-5-2-3-6-10(9)15-14(20)16-12(17)11-7-4-8-21-11/h2-8H,1H3,(H2,15,16,17,20)
InChIKey OGTRRGBNCYYQRX-UHFFFAOYSA-N
Molecular Weight 320.381 g/mol
SMILES N(C1=C(C(=O)OC)C=CC=C1)C(NC(C=1SC=CC1)=O)=S