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Benzoic acid, 2-[[[(4-fluorobenzoyl)amino]carbonothioyl]amino]-, methyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 2-[[[(4-fluorobenzoyl)amino]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID CWMBTb5iTpT
InChI InChI=1S/C16H13FN2O3S/c1-22-15(21)12-4-2-3-5-13(12)18-16(23)19-14(20)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20,23)
InChIKey RNOGZXLIKIXCNY-UHFFFAOYSA-N
Mol Weight 332.35 g/mol
Molecular Formula C16H13FN2O3S
Exact Mass 332.063092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qVGSPb6qCL
Name Benzoic acid, 2-[[[(4-fluorobenzoyl)amino]carbonothioyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 332.063091621 u
Formula C16H13FN2O3S
InChI InChI=1S/C16H13FN2O3S/c1-22-15(21)12-4-2-3-5-13(12)18-16(23)19-14(20)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20,23)
InChIKey RNOGZXLIKIXCNY-UHFFFAOYSA-N
Molecular Weight 332.349 g/mol
SMILES N(C1=C(C(=O)OC)C=CC=C1)C(NC(C=1C=CC(=CC1)F)=O)=S