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N-[2-(4-benzoyl-1-piperazinyl)phenyl]-3,4,5-trimethoxybenzamide
SpectraBase Compound ID GFpWqPr4W8p
InChI InChI=1S/C27H29N3O5/c1-33-23-17-20(18-24(34-2)25(23)35-3)26(31)28-21-11-7-8-12-22(21)29-13-15-30(16-14-29)27(32)19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3,(H,28,31)
InChIKey UWKQZAUHSXYYTM-UHFFFAOYSA-N
Mol Weight 475.55 g/mol
Molecular Formula C27H29N3O5
Exact Mass 475.210721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6T6bCyw1f9u
Name N-[2-(4-Benzoyl-1-piperazinyl)phenyl]-3,4,5-trimethoxybenzamide
Comments Computed using HOSE algorithm
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Exact Mass 475.210721041 u
Formula C27H29N3O5
InChI InChI=1S/C27H29N3O5/c1-33-23-17-20(18-24(34-2)25(23)35-3)26(31)28-21-11-7-8-12-22(21)29-13-15-30(16-14-29)27(32)19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3,(H,28,31)
InChIKey UWKQZAUHSXYYTM-UHFFFAOYSA-N
Molecular Weight 475.545 g/mol
SMILES N(C(C=1C=C(OC)C(=C(C1)OC)OC)=O)C1=C(N2CCN(C(=O)C=3C=CC=CC3)CC2)C=CC=C1