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N-{-[.alpha.-(2-methyl-propanoyl)methyl]-4'-methoxybenzyl}-4-bromoaniline
SpectraBase Compound ID DpthLumkDqX
InChI InChI=1S/C19H22BrNO2/c1-13(2)19(22)12-18(14-4-10-17(23-3)11-5-14)21-16-8-6-15(20)7-9-16/h4-11,13,18,21H,12H2,1-3H3
InChIKey ZZYSMRCYJIXGNM-UHFFFAOYSA-N
Mol Weight 376.29 g/mol
Molecular Formula C19H22BrNO2
Exact Mass 375.083392 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLfpzHpwsbM
Name N-{-[.alpha.-(2-methyl-propanoyl)methyl]-4'-methoxybenzyl}-4-bromoaniline
Comments Computed using HOSE algorithm
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Exact Mass 375.083391950 u
Formula C19H22BrNO2
InChI InChI=1S/C19H22BrNO2/c1-13(2)19(22)12-18(14-4-10-17(23-3)11-5-14)21-16-8-6-15(20)7-9-16/h4-11,13,18,21H,12H2,1-3H3
InChIKey ZZYSMRCYJIXGNM-UHFFFAOYSA-N
Molecular Weight 376.294 g/mol
SMILES C(C(NC1=CC=C(C=C1)Br)C1=CC=C(C=C1)OC)C(=O)C(C)C