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1-Benzhydryl-4-(3,4-dimethoxybenzoyl)piperazine
SpectraBase Compound ID FD4VOz2WZqa
InChI InChI=1S/C26H28N2O3/c1-30-23-14-13-22(19-24(23)31-2)26(29)28-17-15-27(16-18-28)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3
InChIKey YUJYQBMTLJBZNV-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C26H28N2O3
Exact Mass 416.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4GxFjP9ys4
Name 1-Benzhydryl-4-(3,4-dimethoxybenzoyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 416.209992767 u
Formula C26H28N2O3
InChI InChI=1S/C26H28N2O3/c1-30-23-14-13-22(19-24(23)31-2)26(29)28-17-15-27(16-18-28)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,15-18H2,1-2H3
InChIKey YUJYQBMTLJBZNV-UHFFFAOYSA-N
Molecular Weight 416.521 g/mol
SMILES C(N1CCN(CC1)C(C=1C=CC=CC1)C=1C=CC=CC1)(C1=CC(OC)=C(C=C1)OC)=O