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4'-Glyoxyloylacetanilide, mono(diphenyl mercaptal)

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

4'-Glyoxyloylacetanilide, mono(diphenyl mercaptal)
SpectraBase Compound ID LiK0CCRvuID
InChI InChI=1S/C22H19NO2S2/c1-16(24)23-18-14-12-17(13-15-18)21(25)22(26-19-8-4-2-5-9-19)27-20-10-6-3-7-11-20/h2-15,22H,1H3,(H,23,24)
InChIKey MGLVGZRWZMWWLB-UHFFFAOYSA-N
Mol Weight 393.52 g/mol
Molecular Formula C22H19NO2S2
Exact Mass 393.085721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BObxXoqYMZv
Name 4'-Glyoxyloylacetanilide, mono(diphenyl mercaptal)
Comments Computed using HOSE algorithm
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Exact Mass 393.085721202 u
Formula C22H19NO2S2
InChI InChI=1S/C22H19NO2S2/c1-16(24)23-18-14-12-17(13-15-18)21(25)22(26-19-8-4-2-5-9-19)27-20-10-6-3-7-11-20/h2-15,22H,1H3,(H,23,24)
InChIKey MGLVGZRWZMWWLB-UHFFFAOYSA-N
Molecular Weight 393.519 g/mol
SMILES N(C=1C=CC(=CC1)C(C(SC=1C=CC=CC1)SC1=CC=CC=C1)=O)C(C)=O