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4-(4-Benzylpiperazin-1-yl)-3-chloroaniline, N-acetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(4-Benzylpiperazin-1-yl)-3-chloroaniline, N-acetyl-
SpectraBase Compound ID 5ynUEaBi3B0
InChI InChI=1S/C19H22ClN3O/c1-15(24)21-17-7-8-19(18(20)13-17)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKey UYIPEVXWPKBACP-UHFFFAOYSA-N
Mol Weight 343.86 g/mol
Molecular Formula C19H22ClN3O
Exact Mass 343.14514 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLIUTIyDyRe
Name 4-(4-Benzylpiperazin-1-yl)-3-chloroaniline, N-acetyl-
Comments Computed using HOSE algorithm
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Exact Mass 343.145140039 u
Formula C19H22ClN3O
InChI InChI=1S/C19H22ClN3O/c1-15(24)21-17-7-8-19(18(20)13-17)23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKey UYIPEVXWPKBACP-UHFFFAOYSA-N
Molecular Weight 343.858 g/mol
SMILES C1(Cl)=C(N2CCN(CC2)CC2=CC=CC=C2)C=CC(=C1)NC(C)=O