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N,N'-Bis[(S)-1-(ethoxycarbonyl)-2-phenylethyl]fumaric diamide
SpectraBase Compound ID AurBQo4fiR4
InChI InChI=1S/C26H30N2O6/c1-3-33-25(31)21(17-19-11-7-5-8-12-19)27-23(29)15-16-24(30)28-22(26(32)34-4-2)18-20-13-9-6-10-14-20/h5-16,21-22H,3-4,17-18H2,1-2H3,(H,27,29)(H,28,30)/b16-15+/t21-,22?/m0/s1
InChIKey OLQLWQKXWBWOAE-CBSTXXTNSA-N
Mol Weight 466.53 g/mol
Molecular Formula C26H30N2O6
Exact Mass 466.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6mlXdOdMlB
Name N,N'-Bis[(S)-1-(ethoxycarbonyl)-2-phenylethyl]fumaric diamide
Alternate Name(s) Ethyl 2-[((2E)-4-{[(1S)-1-benzyl-2-ethoxy-2-oxoethyl]amino}-4-oxo-2-butenoyl)amino]-3-phenylpropanoate
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Formula C26H30N2O6
InChI InChI=1S/C26H30N2O6/c1-3-33-25(31)21(17-19-11-7-5-8-12-19)27-23(29)15-16-24(30)28-22(26(32)34-4-2)18-20-13-9-6-10-14-20/h5-16,21-22H,3-4,17-18H2,1-2H3,(H,27,29)(H,28,30)/b16-15+/t21-,22?/m0/s1
InChIKey OLQLWQKXWBWOAE-CBSTXXTNSA-N
Molecular Weight 466.534 g/mol
SMILES N([C@](C(=O)OCC)(Cc1ccccc1)[H])C(\C=C\C(NC(C(=O)OCC)Cc1ccccc1)=O)=O
SPLASH splash10-00bc-1945100000-06239d54d3600fde8193
Source of Spectrum QE-12-4368-3
Wiley ID 1587001