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(6E)-6-(3-phenoxybenzylidene)-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
SpectraBase Compound ID Emz6JKvYb24
InChI InChI=1S/C23H15N3O2S/c27-22-20(29-23-25-24-21(26(22)23)17-9-3-1-4-10-17)15-16-8-7-13-19(14-16)28-18-11-5-2-6-12-18/h1-15H/b20-15+
InChIKey OHBHDFHXVJFWLD-HMMYKYKNSA-N
Mol Weight 397.45 g/mol
Molecular Formula C23H15N3O2S
Exact Mass 397.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LipV5reZjIG
Name (6E)-6-(3-Phenoxybenzylidene)-3-phenyl[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 397.088497907 u
Formula C23H15N3O2S
InChI InChI=1S/C23H15N3O2S/c27-22-20(29-23-25-24-21(26(22)23)17-9-3-1-4-10-17)15-16-8-7-13-19(14-16)28-18-11-5-2-6-12-18/h1-15H/b20-15+
InChIKey OHBHDFHXVJFWLD-HMMYKYKNSA-N
Molecular Weight 397.452 g/mol
SMILES C=1C=CC(OC=2C=C(\C=C/3C(N4C(=NN=C4C=4C=CC=CC4)S3)=O)C=CC2)=CC1