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(5E)-2-(4-phenyl-1-piperazinyl)-5-[(4-propan-2-yloxyphenyl)methylidene]-4-thiazolone
SpectraBase Compound ID Ch9DnPv7bBN
InChI InChI=1S/C23H25N3O2S/c1-17(2)28-20-10-8-18(9-11-20)16-21-22(27)24-23(29-21)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3/b21-16+
InChIKey OULIXIYBRAXQNF-LTGZKZEYSA-N
Mol Weight 407.53 g/mol
Molecular Formula C23H25N3O2S
Exact Mass 407.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bbuZrAIx8Y
Name (5E)-2-(4-Phenyl-1-piperazinyl)-5-[(4-propan-2-yloxyphenyl)methylidene]-4-thiazolone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.166748229 u
Formula C23H25N3O2S
InChI InChI=1S/C23H25N3O2S/c1-17(2)28-20-10-8-18(9-11-20)16-21-22(27)24-23(29-21)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3/b21-16+
InChIKey OULIXIYBRAXQNF-LTGZKZEYSA-N
Molecular Weight 407.532 g/mol
SMILES C=1C=CC(N2CCN(C3=NC(\C(=C/C=4C=CC(OC(C)C)=CC4)S3)=O)CC2)=CC1