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Ethyl 2-[(1S)-2-Nitro-1-phenylethyl]-3-phenyl-3-[(1R)-1-phenylethyl)amino]prop-2-enoate
SpectraBase Compound ID LZ5HGejCy3z
InChI InChI=1S/C27H28N2O4/c1-3-33-27(30)25(24(19-29(31)32)22-15-9-5-10-16-22)26(23-17-11-6-12-18-23)28-20(2)21-13-7-4-8-14-21/h4-18,20,24,28H,3,19H2,1-2H3/b26-25-/t20-,24+/m1/s1
InChIKey LVAVXKQMLUIBIL-IFKBTRISSA-N
Mol Weight 444.53 g/mol
Molecular Formula C27H28N2O4
Exact Mass 444.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Tc3FrSUVhC
Name Ethyl 2-[(1S)-2-Nitro-1-phenylethyl]-3-phenyl-3-[(1R)-1-phenylethyl)amino]prop-2-enoate
Alternate Name(s) (2Z,3S)-4-nitro-3-phenyl-2-[phenyl-[[(1R)-1-phenylethyl]amino]methylidene]butanoic acid ethyl ester Ethyl (2Z,3S)-4-nitro-3-phenyl-2-[phenyl-[[(1R)-1-phenylethyl]amino]methylene]butanoate Ethyl (2Z,3S)-4-nitro-3-phenyl-2-[phenyl-[[(1R)-1-phenylethyl]amino]methylidene]butanoate
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Formula C27H28N2O4
InChI InChI=1S/C27H28N2O4/c1-3-33-27(30)25(24(19-29(31)32)22-15-9-5-10-16-22)26(23-17-11-6-12-18-23)28-20(2)21-13-7-4-8-14-21/h4-18,20,24,28H,3,19H2,1-2H3/b26-25-/t20-,24+/m1/s1
InChIKey LVAVXKQMLUIBIL-IFKBTRISSA-N
Molecular Weight 444.531 g/mol
SMILES N(\C(=C\([C@@](CN(=O)=O)(c1ccccc1)[H])C(=O)OCC)c1ccccc1)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-052f-9800000000-181f0199a25eb2bda496
Source of Spectrum J-65-4598-22
Wiley ID 1532833