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6-Chloro-2,7-dimethyl-3-[2-(3,5-dimethylpyrazol-1-yl)-4-thiazolyl]chromone
SpectraBase Compound ID EOquCixphQ9
InChI InChI=1S/C19H16ClN3O2S/c1-9-5-16-13(7-14(9)20)18(24)17(12(4)25-16)15-8-26-19(21-15)23-11(3)6-10(2)22-23/h5-8H,1-4H3
InChIKey ILYJHPLDKVUMCL-UHFFFAOYSA-N
Mol Weight 385.87 g/mol
Molecular Formula C19H16ClN3O2S
Exact Mass 385.065176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5L7S9tgUlSz
Name 6-Chloro-2,7-dimethyl-3-[2-(3,5-dimethylpyrazol-1-yl)-4-thiazolyl]chromone
Comments Computed using HOSE algorithm
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Exact Mass 385.065175639 u
Formula C19H16ClN3O2S
InChI InChI=1S/C19H16ClN3O2S/c1-9-5-16-13(7-14(9)20)18(24)17(12(4)25-16)15-8-26-19(21-15)23-11(3)6-10(2)22-23/h5-8H,1-4H3
InChIKey ILYJHPLDKVUMCL-UHFFFAOYSA-N
Molecular Weight 385.869 g/mol
SMILES C=12C=C(C(=CC1OC(=C(C2=O)C1=CSC(=N1)N1C(=CC(=N1)C)C)C)C)Cl