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methyl 2-[(4-bromophenyl)methylamino]-3-nitro-benzoate
SpectraBase Compound ID 1CrVHfRLriQ
InChI InChI=1S/C15H13BrN2O4/c1-22-15(19)12-3-2-4-13(18(20)21)14(12)17-9-10-5-7-11(16)8-6-10/h2-8,17H,9H2,1H3
InChIKey VPKDYWZQMUPWQM-UHFFFAOYSA-N
Mol Weight 365.18 g/mol
Molecular Formula C15H13BrN2O4
Exact Mass 364.00587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Xm13arssoP
Name methyl 2-[(4-bromophenyl)methylamino]-3-nitro-benzoate
Appearance Yellow needle-shaped crystals
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Formula C15H13BrN2O4
InChI InChI=1S/C15H13BrN2O4/c1-22-15(19)12-3-2-4-13(18(20)21)14(12)17-9-10-5-7-11(16)8-6-10/h2-8,17H,9H2,1H3
InChIKey VPKDYWZQMUPWQM-UHFFFAOYSA-N
Instrument Name HP-5988
Ionization Type EI
Molecular Weight 365.183 g/mol
SMILES N(c1c(cccc1[N+](=O)[O-])C(=O)OC)Cc1ccc(Br)cc1
SPLASH splash10-00m0-3911000000-c9f0739007fcdc4f2276
Source of Spectrum EP1838699B1
Wiley ID 1841732