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3-oxo-2-(Phenyl-hydrazono)-4-p-tolylsulfanyl-butyric acid, ethyl ester

View entire compound with spectra: 1 NMR

3-oxo-2-(Phenyl-hydrazono)-4-p-tolylsulfanyl-butyric acid, ethyl ester
SpectraBase Compound ID IybOl36fcEJ
InChI InChI=1S/C19H20N2O3S/c1-3-24-19(23)18(21-20-15-7-5-4-6-8-15)17(22)13-25-16-11-9-14(2)10-12-16/h4-12,20H,3,13H2,1-2H3/b21-18+
InChIKey SDCDNSSJCZCVJK-DYTRJAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C19H20N2O3S
Exact Mass 356.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBwG42asHUR
Name 3-oxo-2-(Phenyl-hydrazono)-4-p-tolylsulfanyl-butyric acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.119463683 u
Formula C19H20N2O3S
InChI InChI=1S/C19H20N2O3S/c1-3-24-19(23)18(21-20-15-7-5-4-6-8-15)17(22)13-25-16-11-9-14(2)10-12-16/h4-12,20H,3,13H2,1-2H3/b21-18+
InChIKey SDCDNSSJCZCVJK-DYTRJAOYSA-N
Molecular Weight 356.440 g/mol
SMILES C1(N\N=C/(C(CSC2=CC=C(C=C2)C)=O)C(=O)OCC)=CC=CC=C1