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Clopimozide in kbr

View entire compound with spectra: 1 NMR

Clopimozide in kbr
SpectraBase Compound ID IRy8qg6oura
InChI InChI=1S/C28H28ClF2N3O/c29-21-7-12-27-26(18-21)32-28(35)34(27)24-13-16-33(17-14-24)15-1-2-25(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24-25H,1-2,13-17H2,(H,32,35)
InChIKey JCZYXTVBWHAWLL-UHFFFAOYSA-N
Mol Weight 496.0 g/mol
Molecular Formula C28H28ClF2N3O
Exact Mass 495.188897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zH2I5ldJRE
Name Clopimozide in kbr
Comments Computed using HOSE algorithm
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Exact Mass 495.188896559 u
Formula C28H28ClF2N3O
InChI InChI=1S/C28H28ClF2N3O/c29-21-7-12-27-26(18-21)32-28(35)34(27)24-13-16-33(17-14-24)15-1-2-25(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24-25H,1-2,13-17H2,(H,32,35)
InChIKey JCZYXTVBWHAWLL-UHFFFAOYSA-N
Molecular Weight 496.002 g/mol
SMILES N1C(N(C2=CC=C(C=C12)Cl)C1CCN(CC1)CCCC(C=1C=CC(=CC1)F)C=1C=CC(=CC1)F)=O