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N-(2,4-Dinitrophenyl)-(s)-valine
SpectraBase Compound ID GQD6xPUWwub
InChI InChI=1S/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)/t10-/m0/s1
InChIKey AYLCDVYHZOZQKM-JTQLQIEISA-N
Mol Weight 283.24 g/mol
Molecular Formula C11H13N3O6
Exact Mass 283.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3AFQ1A1NTN
Name N-(2,4-Dinitrophenyl)-(s)-valine
Alternate Name(s) (2S)-2-(2,4-dinitroanilino)-3-methyl-butanoic acid (2S)-2-(2,4-dinitroanilino)-3-methyl-butyric acid (2S)-2-[(2,4-dinitrophenyl)amino]-3-methyl-butanoic acid
CAS Registry Number 1694-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O6
InChI InChI=1S/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)/t10-/m0/s1
InChIKey AYLCDVYHZOZQKM-JTQLQIEISA-N
Molecular Weight 283.240 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)[C@](C(=O)O)(C(C)C)[H]
SPLASH splash10-000i-0090000000-64298abe288f932baf54
Source of Spectrum F-56-8289-0
Wiley ID 859058