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2-(4-piperonylpiperazino)-N-[4-(trifluoromethoxy)phenyl]acetamide
SpectraBase Compound ID 622A4F0Iuxq
InChI InChI=1S/C21H22F3N3O4/c22-21(23,24)31-17-4-2-16(3-5-17)25-20(28)13-27-9-7-26(8-10-27)12-15-1-6-18-19(11-15)30-14-29-18/h1-6,11H,7-10,12-14H2,(H,25,28)
InChIKey CVJHCPZQGFLCFT-UHFFFAOYSA-N
Mol Weight 437.42 g/mol
Molecular Formula C21H22F3N3O4
Exact Mass 437.156241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dhkoa6ySmIp
Name 2-(4-Piperonylpiperazino)-N-[4-(trifluoromethoxy)phenyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 437.156240685 u
Formula C21H22F3N3O4
InChI InChI=1S/C21H22F3N3O4/c22-21(23,24)31-17-4-2-16(3-5-17)25-20(28)13-27-9-7-26(8-10-27)12-15-1-6-18-19(11-15)30-14-29-18/h1-6,11H,7-10,12-14H2,(H,25,28)
InChIKey CVJHCPZQGFLCFT-UHFFFAOYSA-N
Molecular Weight 437.419 g/mol
SMILES C(OC=1C=CC(NC(CN2CCN(CC2)CC2=CC3=C(OCO3)C=C2)=O)=CC1)(F)(F)F