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1-Benzhydryl-4-[(2-chloro-3-pyridinyl)carbonyl]piperazine
SpectraBase Compound ID AouTohvyNrm
InChI InChI=1S/C23H22ClN3O/c24-22-20(12-7-13-25-22)23(28)27-16-14-26(15-17-27)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2
InChIKey YWYPSBJUMBJCRY-UHFFFAOYSA-N
Mol Weight 391.9 g/mol
Molecular Formula C23H22ClN3O
Exact Mass 391.14514 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H701RgXtUAm
Name 1-Benzhydryl-4-[(2-chloro-3-pyridinyl)carbonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 391.145140039 u
Formula C23H22ClN3O
InChI InChI=1S/C23H22ClN3O/c24-22-20(12-7-13-25-22)23(28)27-16-14-26(15-17-27)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2
InChIKey YWYPSBJUMBJCRY-UHFFFAOYSA-N
Molecular Weight 391.902 g/mol
SMILES C(C=1C(=NC=CC1)Cl)(N1CCN(CC1)C(C=1C=CC=CC1)C=1C=CC=CC1)=O