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beta-Methylphenethylamine N,N-bis(4-toluoyl)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

beta-Methylphenethylamine N,N-bis(4-toluoyl)
SpectraBase Compound ID FBfxaTFbIz
InChI InChI=1S/C25H25NO2/c1-18-9-13-22(14-10-18)24(27)26(17-20(3)21-7-5-4-6-8-21)25(28)23-15-11-19(2)12-16-23/h4-16,20H,17H2,1-3H3
InChIKey DATKVGSVVJFYGK-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C25H25NO2
Exact Mass 371.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWXHYkq2igP
Name beta-Methylphenethylamine N,N-bis(4-toluoyl)
Comments Computed using HOSE algorithm
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Exact Mass 371.188529047 u
Formula C25H25NO2
InChI InChI=1S/C25H25NO2/c1-18-9-13-22(14-10-18)24(27)26(17-20(3)21-7-5-4-6-8-21)25(28)23-15-11-19(2)12-16-23/h4-16,20H,17H2,1-3H3
InChIKey DATKVGSVVJFYGK-UHFFFAOYSA-N
Molecular Weight 371.480 g/mol
SMILES C(N(C(C=1C=CC(=CC1)C)=O)CC(C=1C=CC=CC1)C)(C=1C=CC(=CC1)C)=O