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1-piperazinepropanamide, N-(2,4-dimethoxyphenyl)-4-(phenylmethyl)-
SpectraBase Compound ID J3Ar8lSxBSh
InChI InChI=1S/C22H29N3O3/c1-27-19-8-9-20(21(16-19)28-2)23-22(26)10-11-24-12-14-25(15-13-24)17-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKey YCALHNIHGSUWEB-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 d3iGgPHaoF
Name 1-Piperazinepropanamide, N-(2,4-dimethoxyphenyl)-4-(phenylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.220891803 u
Formula C22H29N3O3
InChI InChI=1S/C22H29N3O3/c1-27-19-8-9-20(21(16-19)28-2)23-22(26)10-11-24-12-14-25(15-13-24)17-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKey YCALHNIHGSUWEB-UHFFFAOYSA-N
Molecular Weight 383.492 g/mol
SMILES N(C(CCN1CCN(CC1)CC1=CC=CC=C1)=O)C1=C(C=C(C=C1)OC)OC