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Valine, N-(2,4-dinitrophenyl)-, methyl ester, L-
SpectraBase Compound ID J1JLX2VXNTZ
InChI InChI=1S/C12H15N3O6/c1-7(2)11(12(16)21-3)13-9-5-4-8(14(17)18)6-10(9)15(19)20/h4-7,11,13H,1-3H3
InChIKey ZVKSDKYSSSCFQF-UHFFFAOYSA-N
Mol Weight 297.27 g/mol
Molecular Formula C12H15N3O6
Exact Mass 297.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmoeE7vFf6k
Name Valine, N-(2,4-dinitrophenyl)-, methyl ester, L-
CAS Registry Number 10420-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O6
InChI InChI=1S/C12H15N3O6/c1-7(2)11(12(16)21-3)13-9-5-4-8(14(17)18)6-10(9)15(19)20/h4-7,11,13H,1-3H3
InChIKey ZVKSDKYSSSCFQF-UHFFFAOYSA-N
Molecular Weight 297.267 g/mol
SMILES N(c1ccc(cc1N(=O)=O)N(=O)=O)C(C(C)C)C(=O)OC
SPLASH splash10-014r-0940000000-6175bb30c3983011febb
Source of Spectrum DJ-85-217-1
Synonyms Methyl 2-(2,4-dinitroanilino)-3-methylbutanoate 2,4-Dinitrophenyl-dl-valine methyl ester 2-(2,4-dinitroanilino)-3-methyl-butyric acid methyl ester 2-(2,4-dinitroanilino)-3-methylbutanoic acid methyl ester Methyl 2-[(2,4-dinitrophenyl)amino]-3-methyl-butanoate
Wiley ID 1299928