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2-[(4-Hydroxy-6-phenyl-2-pyrimidinyl)thio]acetophenone

View entire compound with spectra: 2 NMR, and 1 FTIR

2-[(4-Hydroxy-6-phenyl-2-pyrimidinyl)thio]acetophenone
SpectraBase Compound ID KTOyYvANudw
InChI InChI=1S/C18H14N2O2S/c21-16(14-9-5-2-6-10-14)12-23-18-19-15(11-17(22)20-18)13-7-3-1-4-8-13/h1-11H,12H2,(H,19,20,22)
InChIKey ZNYULHGMIFEMHP-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C18H14N2O2S
Exact Mass 322.077599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Auf1p3L7yI
Name 2-[(4-Hydroxy-6-phenyl-2-pyrimidinyl)thio]acetophenone
Comments Computed using HOSE algorithm
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Exact Mass 322.077598871 u
Formula C18H14N2O2S
InChI InChI=1S/C18H14N2O2S/c21-16(14-9-5-2-6-10-14)12-23-18-19-15(11-17(22)20-18)13-7-3-1-4-8-13/h1-11H,12H2,(H,19,20,22)
InChIKey ZNYULHGMIFEMHP-UHFFFAOYSA-N
Molecular Weight 322.382 g/mol
SMILES OC1=NC(SCC(C2=CC=CC=C2)=O)=NC(=C1)C=1C=CC=CC1