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6-Chloro-3-[2-(3,5-dimethylpyrazol-1-yl)-4-thiazolyl]-2-methylchromone
SpectraBase Compound ID DvuouDqUEPM
InChI InChI=1S/C18H14ClN3O2S/c1-9-6-10(2)22(21-9)18-20-14(8-25-18)16-11(3)24-15-5-4-12(19)7-13(15)17(16)23/h4-8H,1-3H3
InChIKey NGWNSXMIDTWPAJ-UHFFFAOYSA-N
Mol Weight 371.84 g/mol
Molecular Formula C18H14ClN3O2S
Exact Mass 371.049526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4l7agBOKkBA
Name 6-Chloro-3-[2-(3,5-dimethylpyrazol-1-yl)-4-thiazolyl]-2-methylchromone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.049525575 u
Formula C18H14ClN3O2S
InChI InChI=1S/C18H14ClN3O2S/c1-9-6-10(2)22(21-9)18-20-14(8-25-18)16-11(3)24-15-5-4-12(19)7-13(15)17(16)23/h4-8H,1-3H3
InChIKey NGWNSXMIDTWPAJ-UHFFFAOYSA-N
Molecular Weight 371.842 g/mol
SMILES C=12C=C(C=CC1OC(=C(C2=O)C1=CSC(=N1)N1C(=CC(=N1)C)C)C)Cl