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(5Z)-5-(4-bromobenzylidene)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
SpectraBase Compound ID xmg2Ix91kV
InChI InChI=1S/C16H18BrN3O2S/c17-13-3-1-12(2-4-13)11-14-15(22)18-16(23-14)20-7-5-19(6-8-20)9-10-21/h1-4,11,21H,5-10H2/b14-11-
InChIKey DZHOATIDOUCBDJ-KAMYIIQDSA-N
Mol Weight 396.3 g/mol
Molecular Formula C16H18BrN3O2S
Exact Mass 395.030311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CidouYUTwo
Name (5Z)-5-(4-Bromobenzylidene)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
Comments Computed using HOSE algorithm
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Exact Mass 395.030311004 u
Formula C16H18BrN3O2S
InChI InChI=1S/C16H18BrN3O2S/c17-13-3-1-12(2-4-13)11-14-15(22)18-16(23-14)20-7-5-19(6-8-20)9-10-21/h1-4,11,21H,5-10H2/b14-11-
InChIKey DZHOATIDOUCBDJ-KAMYIIQDSA-N
Molecular Weight 396.303 g/mol
SMILES OCCN1CCN(C2=NC(\C(=C\C3=CC=C(C=C3)Br)S2)=O)CC1