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4(5H)-thiazolone, 5-[(2-ethoxyphenyl)methylene]-2-(4-phenyl-1-piperazinyl)-, (5E)-
SpectraBase Compound ID LdNh8uIdUZU
InChI InChI=1S/C22H23N3O2S/c1-2-27-19-11-7-6-8-17(19)16-20-21(26)23-22(28-20)25-14-12-24(13-15-25)18-9-4-3-5-10-18/h3-11,16H,2,12-15H2,1H3/b20-16+
InChIKey GOKDLZXVJRWXTO-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 JJ8Z6ceMQK6
Name 4(5H)-Thiazolone, 5-[(2-ethoxyphenyl)methylene]-2-(4-phenyl-1-piperazinyl)-, (5E)-
Comments Computed using HOSE algorithm
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Exact Mass 393.151098165 u
Formula C22H23N3O2S
InChI InChI=1S/C22H23N3O2S/c1-2-27-19-11-7-6-8-17(19)16-20-21(26)23-22(28-20)25-14-12-24(13-15-25)18-9-4-3-5-10-18/h3-11,16H,2,12-15H2,1H3/b20-16+
InChIKey GOKDLZXVJRWXTO-CAPFRKAQSA-N
Molecular Weight 393.505 g/mol
SMILES C=1C=CC(N2CCN(C3=NC(\C(=C/C=4C(OCC)=CC=CC4)S3)=O)CC2)=CC1