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1-Benzhydryl-4-[(5-chloro-2-thienyl)carbonyl]piperazine

View entire compound with spectra: 2 NMR

1-Benzhydryl-4-[(5-chloro-2-thienyl)carbonyl]piperazine
SpectraBase Compound ID AzuCEwbkIr4
InChI InChI=1S/C22H21ClN2OS/c23-20-12-11-19(27-20)22(26)25-15-13-24(14-16-25)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2
InChIKey YWTBQFSWCPVODW-UHFFFAOYSA-N
Mol Weight 396.94 g/mol
Molecular Formula C22H21ClN2OS
Exact Mass 396.106312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSfwMJXnTsg
Name 1-Benzhydryl-4-[(5-chloro-2-thienyl)carbonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 396.106312177 u
Formula C22H21ClN2OS
InChI InChI=1S/C22H21ClN2OS/c23-20-12-11-19(27-20)22(26)25-15-13-24(14-16-25)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2
InChIKey YWTBQFSWCPVODW-UHFFFAOYSA-N
Molecular Weight 396.936 g/mol
SMILES C=1(C(N2CCN(CC2)C(C=2C=CC=CC2)C2=CC=CC=C2)=O)SC(Cl)=CC1