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1-piperazinepropanamide, N-(3,5-dimethoxyphenyl)-4-(phenylmethyl)-
SpectraBase Compound ID 8HClIu3g5C6
InChI InChI=1S/C22H29N3O3/c1-27-20-14-19(15-21(16-20)28-2)23-22(26)8-9-24-10-12-25(13-11-24)17-18-6-4-3-5-7-18/h3-7,14-16H,8-13,17H2,1-2H3,(H,23,26)
InChIKey DYKNMTQQRZKZBS-UHFFFAOYSA-N
Mol Weight 383.49 g/mol
Molecular Formula C22H29N3O3
Exact Mass 383.220892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hvgR6xnakR
Name 1-Piperazinepropanamide, N-(3,5-dimethoxyphenyl)-4-(phenylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 383.220891803 u
Formula C22H29N3O3
InChI InChI=1S/C22H29N3O3/c1-27-20-14-19(15-21(16-20)28-2)23-22(26)8-9-24-10-12-25(13-11-24)17-18-6-4-3-5-7-18/h3-7,14-16H,8-13,17H2,1-2H3,(H,23,26)
InChIKey DYKNMTQQRZKZBS-UHFFFAOYSA-N
Molecular Weight 383.492 g/mol
SMILES N(C(CCN1CCN(CC1)CC1=CC=CC=C1)=O)C=1C=C(OC)C=C(C1)OC