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2-Methylpropyl 3-[(phenylmethyl)amino(thiocarbonylamino]benzoate

View entire compound with spectra: 1 NMR

2-Methylpropyl 3-[(phenylmethyl)amino(thiocarbonylamino]benzoate
SpectraBase Compound ID 4MWvqH6ETpT
InChI InChI=1S/C19H22N2O2S/c1-14(2)13-23-18(22)16-8-10-17(11-9-16)21-19(24)20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,20,21,24)
InChIKey APWRJZIRBHUSAT-UHFFFAOYSA-N
Mol Weight 342.46 g/mol
Molecular Formula C19H22N2O2S
Exact Mass 342.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FnvfYlHvSAU
Name 2-Methylpropyl 3-[(phenylmethyl)amino(thiocarbonylamino]benzoate
Comments Computed using HOSE algorithm
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Exact Mass 342.140199128 u
Formula C19H22N2O2S
InChI InChI=1S/C19H22N2O2S/c1-14(2)13-23-18(22)16-8-10-17(11-9-16)21-19(24)20-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H2,20,21,24)
InChIKey APWRJZIRBHUSAT-UHFFFAOYSA-N
Molecular Weight 342.457 g/mol
SMILES C1(=CC=CC=C1)CNC(=S)NC1=CC=C(C=C1)C(OCC(C)C)=O