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Carbamothioic acid, dimethyl-, o-[3-[[(4-fluorophenyl)amino]carbonyl]phenyl] ester
SpectraBase Compound ID 8RFEKZ9tB1s
InChI InChI=1S/C16H15FN2O2S/c1-19(2)16(22)21-14-5-3-4-11(10-14)15(20)18-13-8-6-12(17)7-9-13/h3-10H,1-2H3,(H,18,20)
InChIKey NAFXZTVXOQICRF-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C16H15FN2O2S
Exact Mass 318.083827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXGd44D4eOU
Name Carbamothioic acid, dimethyl-, o-[3-[[(4-fluorophenyl)amino]carbonyl]phenyl] ester
Comments Computed using HOSE algorithm
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Exact Mass 318.083827066 u
Formula C16H15FN2O2S
InChI InChI=1S/C16H15FN2O2S/c1-19(2)16(22)21-14-5-3-4-11(10-14)15(20)18-13-8-6-12(17)7-9-13/h3-10H,1-2H3,(H,18,20)
InChIKey NAFXZTVXOQICRF-UHFFFAOYSA-N
Molecular Weight 318.366 g/mol
SMILES N(C(C=1C=C(OC(=S)N(C)C)C=CC1)=O)C1=CC=C(C=C1)F