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N-Acetyl-N'-(3-bromo-4-benzyloxyphenyl)piperazine

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

N-Acetyl-N'-(3-bromo-4-benzyloxyphenyl)piperazine
SpectraBase Compound ID DZfoWWsbPVB
InChI InChI=1S/C19H21BrN2O2/c1-15(23)21-9-11-22(12-10-21)17-7-8-19(18(20)13-17)24-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKey SQQCVCNTRCUJDX-UHFFFAOYSA-N
Mol Weight 389.29 g/mol
Molecular Formula C19H21BrN2O2
Exact Mass 388.078641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFXvF2HVEEl
Name N-Acetyl-N'-(3-bromo-4-benzyloxyphenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 388.078640922 u
Formula C19H21BrN2O2
InChI InChI=1S/C19H21BrN2O2/c1-15(23)21-9-11-22(12-10-21)17-7-8-19(18(20)13-17)24-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKey SQQCVCNTRCUJDX-UHFFFAOYSA-N
Molecular Weight 389.293 g/mol
SMILES C1N(CCN(C1)C=1C=C(C(=CC1)OCC=1C=CC=CC1)Br)C(=O)C