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3-Bromo-4-(2-bromophenoxy)-N,N-diethylbenzamide
SpectraBase Compound ID 4hhiAzQ9QBk
InChI InChI=1S/C17H17Br2NO2/c1-3-20(4-2)17(21)12-9-10-16(14(19)11-12)22-15-8-6-5-7-13(15)18/h5-11H,3-4H2,1-2H3
InChIKey YALZPVPQKJQAHJ-UHFFFAOYSA-N
Mol Weight 427.14 g/mol
Molecular Formula C17H17Br2NO2
Exact Mass 424.962605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CmQLqnfmDF
Name 3-Bromo-4-(2-bromophenoxy)-N,N-diethylbenzamide
Appearance White solid
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Exact Mass 424.962604789 u
Formula C17H17Br2NO2
InChI InChI=1S/C17H17Br2NO2/c1-3-20(4-2)17(21)12-9-10-16(14(19)11-12)22-15-8-6-5-7-13(15)18/h5-11H,3-4H2,1-2H3
InChIKey YALZPVPQKJQAHJ-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612535
Molecular Weight 427.136 g/mol
Quality 90
Reported Formula C17H17Br2NO2
SMILES C=1(Br)C=C(C=CC1OC1=C(C=CC=C1)Br)C(=O)N(CC)CC
SPLASH splash10-056r-0109700000-d4c5778049fb233e5705
Source of Spectrum ACI-56-SM10-3m (DOI: 10.1002/anie.201612535)
Thin-Layer Chromatography 0.14 (Hexane/EtOAc, 3:1)
Wiley ID 1892878