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2-(3-oxo-2-thiomorpholinyl)-N-[2-(phenylsulfanyl)phenyl]acetamide
SpectraBase Compound ID 71Z8B24bGgH
InChI InChI=1S/C18H18N2O2S2/c21-17(12-16-18(22)19-10-11-23-16)20-14-8-4-5-9-15(14)24-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,19,22)(H,20,21)
InChIKey ALKVQJALFLKSMR-UHFFFAOYSA-N
Mol Weight 358.47 g/mol
Molecular Formula C18H18N2O2S2
Exact Mass 358.08097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNjOTFi6Nb7
Name 2-(3-oxo-2-Thiomorpholinyl)-N-[2-(phenylsulfanyl)phenyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 358.080970174 u
Formula C18H18N2O2S2
InChI InChI=1S/C18H18N2O2S2/c21-17(12-16-18(22)19-10-11-23-16)20-14-8-4-5-9-15(14)24-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,19,22)(H,20,21)
InChIKey ALKVQJALFLKSMR-UHFFFAOYSA-N
Molecular Weight 358.474 g/mol
SMILES N(C(CC1C(NCCS1)=O)=O)C=1C(SC2=CC=CC=C2)=CC=CC1