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(6E)-6-(4-methoxybenzylidene)-3-(2-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
SpectraBase Compound ID 2uCZUJn2CLy
InChI InChI=1S/C19H15N3O2S/c1-12-5-3-4-6-15(12)17-20-21-19-22(17)18(23)16(25-19)11-13-7-9-14(24-2)10-8-13/h3-11H,1-2H3/b16-11+
InChIKey XPXXXMRRTDMLOJ-LFIBNONCSA-N
Mol Weight 349.41 g/mol
Molecular Formula C19H15N3O2S
Exact Mass 349.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BKgn2YnItZ
Name (6E)-6-(4-Methoxybenzylidene)-3-(2-methylphenyl)[1,3]thiazolo[2,3-C][1,2,4]triazol-5(6H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.088497907 u
Formula C19H15N3O2S
InChI InChI=1S/C19H15N3O2S/c1-12-5-3-4-6-15(12)17-20-21-19-22(17)18(23)16(25-19)11-13-7-9-14(24-2)10-8-13/h3-11H,1-2H3/b16-11+
InChIKey XPXXXMRRTDMLOJ-LFIBNONCSA-N
Molecular Weight 349.408 g/mol
SMILES C1=CC=C(C=2N3C(=NN2)S\C(C3=O)=C/C=2C=CC(=CC2)OC)C(C)=C1