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4(5H)-thiazolone, 5-([1,1'-biphenyl]-4-ylmethylene)-2-(4-methyl-1-piperazinyl)-, (5E)-
SpectraBase Compound ID CYqx3lew0G4
InChI InChI=1S/C21H21N3OS/c1-23-11-13-24(14-12-23)21-22-20(25)19(26-21)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/b19-15+
InChIKey YSKMHZZMLSKGFA-XDJHFCHBSA-N
Mol Weight 363.48 g/mol
Molecular Formula C21H21N3OS
Exact Mass 363.140533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xF5wulCSzF
Name 4(5H)-Thiazolone, 5-([1,1'-biphenyl]-4-ylmethylene)-2-(4-methyl-1-piperazinyl)-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.140533481 u
Formula C21H21N3OS
InChI InChI=1S/C21H21N3OS/c1-23-11-13-24(14-12-23)21-22-20(25)19(26-21)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3/b19-15+
InChIKey YSKMHZZMLSKGFA-XDJHFCHBSA-N
Molecular Weight 363.479 g/mol
SMILES C=1C=CC(C2=CC=C(\C=C/3C(N=C(S3)N3CCN(CC3)C)=O)C=C2)=CC1