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1-[5'-Hydroxy-3-'-methyl-1'-(4''-(2'''-thienyl)-2''-thiazolyl)-4'-pyrazolyl]-1,3-butanedione

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1-[5'-Hydroxy-3-'-methyl-1'-(4''-(2'''-thienyl)-2''-thiazolyl)-4'-pyrazolyl]-1,3-butanedione
SpectraBase Compound ID 5OMcbKMTFZG
InChI InChI=1S/C15H13N3O3S2/c1-8(19)6-11(20)13-9(2)17-18(14(13)21)15-16-10(7-23-15)12-4-3-5-22-12/h3-5,7,21H,6H2,1-2H3
InChIKey SBQYVNKCRYRKRD-UHFFFAOYSA-N
Mol Weight 347.41 g/mol
Molecular Formula C15H13N3O3S2
Exact Mass 347.039834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2HjoW3FcRAL
Name 1-[5'-Hydroxy-3-'-methyl-1'-(4''-<2'''-thienyl>-2''-thiazolyl)-4'-pyrazolyl]-1,3-butanedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.039833636 u
Formula C15H13N3O3S2
InChI InChI=1S/C15H13N3O3S2/c1-8(19)6-11(20)13-9(2)17-18(14(13)21)15-16-10(7-23-15)12-4-3-5-22-12/h3-5,7,21H,6H2,1-2H3
InChIKey SBQYVNKCRYRKRD-UHFFFAOYSA-N
Molecular Weight 347.407 g/mol
SMILES C=1(N(N=C(C1C(CC(=O)C)=O)C)C1=NC(C=2SC=CC2)=CS1)O