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Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-pentyl-
SpectraBase Compound ID JxEeR88hhI8
InChI InChI=1S/C19H19Br2NO2/c1-2-3-8-13-22(18(23)14-9-4-6-11-16(14)20)19(24)15-10-5-7-12-17(15)21/h4-7,9-12H,2-3,8,13H2,1H3
InChIKey PBJUOSSJIPUYDJ-UHFFFAOYSA-N
Mol Weight 453.17 g/mol
Molecular Formula C19H19Br2NO2
Exact Mass 450.978255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIKU5hBKS9v
Name Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-pentyl-
Comments Computed using HOSE algorithm
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Exact Mass 450.978254854 u
Formula C19H19Br2NO2
InChI InChI=1S/C19H19Br2NO2/c1-2-3-8-13-22(18(23)14-9-4-6-11-16(14)20)19(24)15-10-5-7-12-17(15)21/h4-7,9-12H,2-3,8,13H2,1H3
InChIKey PBJUOSSJIPUYDJ-UHFFFAOYSA-N
Molecular Weight 453.174 g/mol
SMILES C1=CC=C(C(=C1)Br)C(N(CCCCC)C(=O)C1=C(C=CC=C1)Br)=O