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2,4-Dinitrophenyl-dl-alanyl-dl-valine

View entire compound with spectra: 1 NMR, and 1 FTIR

2,4-Dinitrophenyl-dl-alanyl-dl-valine
SpectraBase Compound ID GnZhpiWcot0
InChI InChI=1S/C14H18N4O7/c1-7(2)12(14(20)21)16-13(19)8(3)15-10-5-4-9(17(22)23)6-11(10)18(24)25/h4-8,12,15H,1-3H3,(H,16,19)(H,20,21)
InChIKey AOOWKXWBKCDPPW-UHFFFAOYSA-N
Mol Weight 354.32 g/mol
Molecular Formula C14H18N4O7
Exact Mass 354.117549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFm3wyvJL1k
Name 2,4-Dinitrophenyl-dl-alanyl-dl-valine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.117548929 u
Formula C14H18N4O7
InChI InChI=1S/C14H18N4O7/c1-7(2)12(14(20)21)16-13(19)8(3)15-10-5-4-9(17(22)23)6-11(10)18(24)25/h4-8,12,15H,1-3H3,(H,16,19)(H,20,21)
InChIKey AOOWKXWBKCDPPW-UHFFFAOYSA-N
Molecular Weight 354.319 g/mol
SMILES C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)NC(C(NC(C(O)=O)C(C)C)=O)C