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N-Benzoyl-3,5-dibromo-4-(2,4-dinitrophenoxy)phenylalanine
SpectraBase Compound ID 1fzls0ghpG6
InChI InChI=1S/C22H15Br2N3O8/c23-15-8-12(10-17(22(29)30)25-21(28)13-4-2-1-3-5-13)9-16(24)20(15)35-19-7-6-14(26(31)32)11-18(19)27(33)34/h1-9,11,17H,10H2,(H,25,28)(H,29,30)
InChIKey BJJJEQIRKFLQTL-UHFFFAOYSA-N
Mol Weight 609.18 g/mol
Molecular Formula C22H15Br2N3O8
Exact Mass 606.92259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxFMF8ohe8L
Name N-Benzoyl-3,5-dibromo-4-(2,4-dinitrophenoxy)phenylalanine
Alternate Name(s) O-[2,4-Dinitrophenyl]-3,5-dibromotyrosine, N-benzoyl- 2-Benzamido-3-[3,5-dibromo-4-(2,4-dinitrophenoxy)phenyl]propanoic acid 2-Benzamido-3-[3,5-bis(bromanyl)-4-(2,4-dinitrophenoxy)phenyl]propanoic acid
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Formula C22H15Br2N3O8
InChI InChI=1S/C22H15Br2N3O8/c23-15-8-12(10-17(22(29)30)25-21(28)13-4-2-1-3-5-13)9-16(24)20(15)35-19-7-6-14(26(31)32)11-18(19)27(33)34/h1-9,11,17H,10H2,(H,25,28)(H,29,30)
InChIKey BJJJEQIRKFLQTL-UHFFFAOYSA-N
Molecular Weight 609.183 g/mol
SMILES OC(C(Cc1cc(c(Oc2ccc(cc2N(=O)=O)N(=O)=O)c(Br)c1)Br)NC(=O)c1ccccc1)=O
SPLASH splash10-0ab9-3901000000-05e63f43422c5aebcbfc
Source of Spectrum NP-16-1106-0
Wiley ID 1113179