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(E)-3-(1,3-benzoxazol-6-ylamino)-2-cyano-2-propenoic acid ethyl ester
SpectraBase Compound ID Cy2TTXqM632
InChI InChI=1S/C13H11N3O3/c1-2-18-13(17)9(6-14)7-15-10-3-4-11-12(5-10)19-8-16-11/h3-5,7-8,15H,2H2,1H3/b9-7+
InChIKey NUEVNWDOQQGBER-VQHVLOKHSA-N
Mol Weight 257.25 g/mol
Molecular Formula C13H11N3O3
Exact Mass 257.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VWnuuna8Kb
Name (E)-3-(1,3-benzoxazol-6-ylamino)-2-cyano-2-propenoic acid ethyl ester
Alternate Name(s) (E)-3-(1,3-benzoxazol-6-ylamino)-2-cyano-acrylic acid ethyl ester Ethyl (E)-3-(1,3-benzoxazol-6-ylamino)-2-cyano-prop-2-enoate
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Formula C13H11N3O3
InChI InChI=1S/C13H11N3O3/c1-2-18-13(17)9(6-14)7-15-10-3-4-11-12(5-10)19-8-16-11/h3-5,7-8,15H,2H2,1H3/b9-7+
InChIKey NUEVNWDOQQGBER-VQHVLOKHSA-N
Molecular Weight 257.249 g/mol
SMILES N(\C=C\(C(=O)OCC)C#N)c1cc2ocnc2cc1
SPLASH splash10-03di-5490000000-52ea345f3afc646fd2cc
Source of Spectrum G-62-106-8
Wiley ID 749298