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N-[3,5-Dinitropyridin-2-yl]phenylalanine

View entire compound with spectra: 1 NMR

N-[3,5-Dinitropyridin-2-yl]phenylalanine
SpectraBase Compound ID Kh9SNoKb0vr
InChI InChI=1S/C14H12N4O6/c19-14(20)11(6-9-4-2-1-3-5-9)16-13-12(18(23)24)7-10(8-15-13)17(21)22/h1-5,7-8,11H,6H2,(H,15,16)(H,19,20)
InChIKey OACXTIZBOPTYJJ-UHFFFAOYSA-N
Mol Weight 332.27 g/mol
Molecular Formula C14H12N4O6
Exact Mass 332.075684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vbHO9BsowO
Name N-[3,5-Dinitropyridin-2-yl]phenylalanine
Comments Computed using HOSE algorithm
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Exact Mass 332.075684116 u
Formula C14H12N4O6
InChI InChI=1S/C14H12N4O6/c19-14(20)11(6-9-4-2-1-3-5-9)16-13-12(18(23)24)7-10(8-15-13)17(21)22/h1-5,7-8,11H,6H2,(H,15,16)(H,19,20)
InChIKey OACXTIZBOPTYJJ-UHFFFAOYSA-N
Molecular Weight 332.272 g/mol
SMILES C(CC1=CC=CC=C1)(NC1=NC=C(N(=O)=O)C=C1N(=O)=O)C(O)=O