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(5Z)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-5-(4-methylbenzylidene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID ArZITAq7tgy
InChI InChI=1S/C17H21N3O2S/c1-13-2-4-14(5-3-13)12-15-16(22)18-17(23-15)20-8-6-19(7-9-20)10-11-21/h2-5,12,21H,6-11H2,1H3/b15-12-
InChIKey JGRUKOWDZFHORB-QINSGFPZSA-N
Mol Weight 331.43 g/mol
Molecular Formula C17H21N3O2S
Exact Mass 331.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AKuyuT6OQ6O
Name (5Z)-2-[4-(2-Hydroxyethyl)-1-piperazinyl]-5-(4-methylbenzylidene)-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
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Exact Mass 331.135448100 u
Formula C17H21N3O2S
InChI InChI=1S/C17H21N3O2S/c1-13-2-4-14(5-3-13)12-15-16(22)18-17(23-15)20-8-6-19(7-9-20)10-11-21/h2-5,12,21H,6-11H2,1H3/b15-12-
InChIKey JGRUKOWDZFHORB-QINSGFPZSA-N
Molecular Weight 331.434 g/mol
SMILES OCCN1CCN(C2=NC(\C(=C\C=3C=CC(=CC3)C)S2)=O)CC1