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1-(3-chlorophenyl)-4-[(2E)-3-(2-furyl)-2-propenoyl]piperazine
SpectraBase Compound ID HnzADS9UQ74
InChI InChI=1S/C17H17ClN2O2/c18-14-3-1-4-15(13-14)19-8-10-20(11-9-19)17(21)7-6-16-5-2-12-22-16/h1-7,12-13H,8-11H2/b7-6+
InChIKey VBERVBIPYYFOOE-VOTSOKGWSA-N
Mol Weight 316.79 g/mol
Molecular Formula C17H17ClN2O2
Exact Mass 316.097855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xZprRSGasd
Name 1-(3-Chlorophenyl)-4-[(2E)-3-(2-furyl)-2-propenoyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 316.097855493 u
Formula C17H17ClN2O2
InChI InChI=1S/C17H17ClN2O2/c18-14-3-1-4-15(13-14)19-8-10-20(11-9-19)17(21)7-6-16-5-2-12-22-16/h1-7,12-13H,8-11H2/b7-6+
InChIKey VBERVBIPYYFOOE-VOTSOKGWSA-N
Molecular Weight 316.788 g/mol
SMILES C=1C=CC(N2CCN(C(\C=C\C=3OC=CC3)=O)CC2)=CC1Cl