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N-{[(2-bromophenyl)carbonyl]oxy}-4-chlorobenzamide, N-acetyl-
SpectraBase Compound ID AVCRee3ds37
InChI InChI=1S/C16H11BrClNO4/c1-10(20)19(15(21)11-6-8-12(18)9-7-11)23-16(22)13-4-2-3-5-14(13)17/h2-9H,1H3
InChIKey GTQHXKBHBZOOBC-UHFFFAOYSA-N
Mol Weight 396.62 g/mol
Molecular Formula C16H11BrClNO4
Exact Mass 394.955999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8e7W8vujlhz
Name N-{[(2-bromophenyl)carbonyl]oxy}-4-chlorobenzamide, N-acetyl-
Comments Computed using HOSE algorithm
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Exact Mass 394.955998534 u
Formula C16H11BrClNO4
InChI InChI=1S/C16H11BrClNO4/c1-10(20)19(15(21)11-6-8-12(18)9-7-11)23-16(22)13-4-2-3-5-14(13)17/h2-9H,1H3
InChIKey GTQHXKBHBZOOBC-UHFFFAOYSA-N
Molecular Weight 396.624 g/mol
SMILES C(ON(C(=O)C1=CC=C(C=C1)Cl)C(C)=O)(=O)C1=C(Br)C=CC=C1