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N-(2,4-Dinitrophenyl)-(s)-phenylalnine
SpectraBase Compound ID FUI3Ts8NRqW
InChI InChI=1S/C15H13N3O6/c19-15(20)13(8-10-4-2-1-3-5-10)16-12-7-6-11(17(21)22)9-14(12)18(23)24/h1-7,9,13,16H,8H2,(H,19,20)/t13-/m0/s1
InChIKey HJQHTLAEPSKXQJ-ZDUSSCGKSA-N
Mol Weight 331.28 g/mol
Molecular Formula C15H13N3O6
Exact Mass 331.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8EZAiIvYlr
Name N-(2,4-Dinitrophenyl)-(s)-phenylalnine
Alternate Name(s) (2S)-2-(2,4-dinitroanilino)-3-phenyl-propanoic acid (2S)-2-(2,4-dinitroanilino)-3-phenyl-propionic acid (2S)-2-[(2,4-dinitrophenyl)amino]-3-phenyl-propanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C15H13N3O6
InChI InChI=1S/C15H13N3O6/c19-15(20)13(8-10-4-2-1-3-5-10)16-12-7-6-11(17(21)22)9-14(12)18(23)24/h1-7,9,13,16H,8H2,(H,19,20)/t13-/m0/s1
InChIKey HJQHTLAEPSKXQJ-ZDUSSCGKSA-N
Molecular Weight 331.284 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)[C@](C(=O)O)(Cc1ccccc1)[H]
SPLASH splash10-0006-0090000000-6915e618a100ae93ad60
Source of Spectrum F-56-8289-0
Wiley ID 859055