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2-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)thio)-4,6-dimethylpyrimidine

View entire compound with spectra: 1 NMR

2-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)thio)-4,6-dimethylpyrimidine
SpectraBase Compound ID G8mbVFym0ih
InChI InChI=1S/C17H18N4S/c1-11-10-12(2)19-17(18-11)22-16-13(3)20-21(14(16)4)15-8-6-5-7-9-15/h5-10H,1-4H3
InChIKey AHACBDKJFCKMTO-UHFFFAOYSA-N
Mol Weight 310.42 g/mol
Molecular Formula C17H18N4S
Exact Mass 310.125218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMswpz1OIbB
Name 2-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)thio)-4,6-dimethylpyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 310.125217770 u
Formula C17H18N4S
InChI InChI=1S/C17H18N4S/c1-11-10-12(2)19-17(18-11)22-16-13(3)20-21(14(16)4)15-8-6-5-7-9-15/h5-10H,1-4H3
InChIKey AHACBDKJFCKMTO-UHFFFAOYSA-N
Molecular Weight 310.419 g/mol
SMILES C1(N2C(C)=C(SC3=NC(C)=CC(=N3)C)C(=N2)C)=CC=CC=C1