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ETHYL-N-[2-NITRO-2-(PROP-2-EN-1-YL)-ACETYL]-L-PHENYLALANINATE;ETHYL-N-(2-NITROPENT-4-ENOYL)-L-PHENYLALANINATE
SpectraBase Compound ID 2eb0oVwwywN
InChI InChI=1S/2C16H20N2O5/c2*1-3-8-14(18(21)22)15(19)17-13(16(20)23-4-2)11-12-9-6-5-7-10-12/h2*3,5-7,9-10,13-14H,1,4,8,11H2,2H3,(H,17,19)/t2*13-,14?/m00/s1
InChIKey CGYGZQKMPXQMNP-NIUZTURUSA-N
Mol Weight 640.69 g/mol
Molecular Formula C32H40N4O10
Exact Mass 640.274443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4knt8Nwem5
Name ETHYL-N-[2-NITRO-2-(PROP-2-EN-1-YL)-ACETYL]-L-PHENYLALANINATE;ETHYL-N-(2-NITROPENT-4-ENOYL)-L-PHENYLALANINATE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H40N4O10
InChI InChI=1S/2C16H20N2O5/c2*1-3-8-14(18(21)22)15(19)17-13(16(20)23-4-2)11-12-9-6-5-7-10-12/h2*3,5-7,9-10,13-14H,1,4,8,11H2,2H3,(H,17,19)/t2*13-,14?/m00/s1
InChIKey CGYGZQKMPXQMNP-NIUZTURUSA-N
Literature Reference Author S.G.MANJUNATHA,P.CHITTARI,S.RAJAPPA
Literature Reference Citation HELV.CHIM.ACTA,74,1071(1991)
Literature Reference DOI 10.1002/hlca.19910740516
Molecular Weight 640.690 g/mol
Solvent CDCl3
Source File Reference UWVP208