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1-Ethyl-3,5-bis-[1-thiophen-2-yl-meth-(E)-ylidene]-piperidin-4-one
SpectraBase Compound ID Bu2nphp3flF
InChI InChI=1S/C17H17NOS2/c1-2-18-11-13(9-15-5-3-7-20-15)17(19)14(12-18)10-16-6-4-8-21-16/h3-10H,2,11-12H2,1H3/b13-9+,14-10+
InChIKey BKTJHWMQZDRBMI-UTLPMFLDSA-N
Mol Weight 315.45 g/mol
Molecular Formula C17H17NOS2
Exact Mass 315.075157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPzWfD6d3XV
Name 1-Ethyl-3,5-bis-[1-thiophen-2-yl-meth-(E)-ylidene]-piperidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 315.075156518 u
Formula C17H17NOS2
InChI InChI=1S/C17H17NOS2/c1-2-18-11-13(9-15-5-3-7-20-15)17(19)14(12-18)10-16-6-4-8-21-16/h3-10H,2,11-12H2,1H3/b13-9+,14-10+
InChIKey BKTJHWMQZDRBMI-UTLPMFLDSA-N
Molecular Weight 315.449 g/mol
SMILES C1(\C(CN(C\C1=C\C=1SC=CC1)CC)=C\C=1SC=CC1)=O