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5-{[2'-(Ethoxycarbonyl)-2'-cyanoethenyl]amino}benzoxazol
SpectraBase Compound ID 1ahCEtOdpFH
InChI InChI=1S/C13H11N3O3/c1-2-18-13(17)9(6-14)7-15-10-3-4-12-11(5-10)16-8-19-12/h3-5,7-8,15H,2H2,1H3/b9-7+
InChIKey SJEHDGKOYUHXTC-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 54ZCnVJjupK
Name 5-{[2'-(Ethoxycarbonyl)-2'-cyanoethenyl]amino}benzoxazol
Alternate Name(s) Ethyl (2E)-3-(1,3-benzoxazol-5-ylamino)-2-cyano-2-propenoate
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Formula C13H11N3O3
InChI InChI=1S/C13H11N3O3/c1-2-18-13(17)9(6-14)7-15-10-3-4-12-11(5-10)16-8-19-12/h3-5,7-8,15H,2H2,1H3/b9-7+
InChIKey SJEHDGKOYUHXTC-VQHVLOKHSA-N
Molecular Weight 257.249 g/mol
SMILES N(\C=C\(C(=O)OCC)C#N)c1cc2ncoc2cc1
SPLASH splash10-08fr-2490000000-cebab2365aca05fb1747
Source of Spectrum G-62-106-7
Wiley ID 749301