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4(5H)-thiazolone, 5-([1,1'-biphenyl]-4-ylmethylene)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-, (5E)-
SpectraBase Compound ID J2cYQwKgngb
InChI InChI=1S/C22H23N3O2S/c26-15-14-24-10-12-25(13-11-24)22-23-21(27)20(28-22)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,16,26H,10-15H2/b20-16+
InChIKey IBEWMFVUBLAYJT-CAPFRKAQSA-N
Mol Weight 393.51 g/mol
Molecular Formula C22H23N3O2S
Exact Mass 393.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60JtRRD7zrU
Name 4(5H)-Thiazolone, 5-([1,1'-biphenyl]-4-ylmethylene)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.151098165 u
Formula C22H23N3O2S
InChI InChI=1S/C22H23N3O2S/c26-15-14-24-10-12-25(13-11-24)22-23-21(27)20(28-22)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,16,26H,10-15H2/b20-16+
InChIKey IBEWMFVUBLAYJT-CAPFRKAQSA-N
Molecular Weight 393.505 g/mol
SMILES OCCN1CCN(C2=NC(\C(=C/C=3C=CC(=CC3)C3=CC=CC=C3)S2)=O)CC1