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(5Z)-2-(4-ethyl-1-piperazinyl)-5-[(4-phenylmethoxyphenyl)methylidene]-4-thiazolone
SpectraBase Compound ID LwKVUOKv3aF
InChI InChI=1S/C23H25N3O2S/c1-2-25-12-14-26(15-13-25)23-24-22(27)21(29-23)16-18-8-10-20(11-9-18)28-17-19-6-4-3-5-7-19/h3-11,16H,2,12-15,17H2,1H3/b21-16-
InChIKey YPNGNVMGGQDVEH-PGMHBOJBSA-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 LRJ72tYkENi
Name (5Z)-2-(4-Ethyl-1-piperazinyl)-5-[(4-phenylmethoxyphenyl)methylidene]-4-thiazolone
Comments Computed using HOSE algorithm
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Exact Mass 407.166748229 u
Formula C23H25N3O2S
InChI InChI=1S/C23H25N3O2S/c1-2-25-12-14-26(15-13-25)23-24-22(27)21(29-23)16-18-8-10-20(11-9-18)28-17-19-6-4-3-5-7-19/h3-11,16H,2,12-15,17H2,1H3/b21-16-
InChIKey YPNGNVMGGQDVEH-PGMHBOJBSA-N
Molecular Weight 407.532 g/mol
SMILES C=1C=CC(COC2=CC=C(\C=C\3C(N=C(S3)N3CCN(CC3)CC)=O)C=C2)=CC1