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(E)-Ethyl 3-(5-amino-1-phenyl-1H-1,2,4-triazol-3-ylamino)-2-chlorobut-2-enoate
SpectraBase Compound ID 5egnaCX5qog
InChI InChI=1S/C14H16ClN5O2/c1-3-22-12(21)11(15)9(2)17-14-18-13(16)20(19-14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H3,16,17,18,19)/b11-9+
InChIKey WJYXXMGBYAJNAX-PKNBQFBNSA-N
Mol Weight 321.77 g/mol
Molecular Formula C14H16ClN5O2
Exact Mass 321.099252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnAdBFfVLLN
Name (E)-Ethyl 3-(5-amino-1-phenyl-1H-1,2,4-triazol-3-ylamino)-2-chlorobut-2-enoate
Alternate Name(s) (E)-3-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-2-chloro-2-butenoic acid ethyl ester Ethyl (E)-3-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-2-chlorobut-2-enoate Ethyl (E)-3-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-2-chloro-but-2-enoate Ethyl (E)-3-[(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)amino]-2-chloranyl-but-2-enoate
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Formula C14H16ClN5O2
InChI InChI=1S/C14H16ClN5O2/c1-3-22-12(21)11(15)9(2)17-14-18-13(16)20(19-14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H3,16,17,18,19)/b11-9+
InChIKey WJYXXMGBYAJNAX-PKNBQFBNSA-N
Molecular Weight 321.768 g/mol
SMILES N(\C(=C/(C(=O)OCC)Cl)C)c1nc([n](n1)-c1ccccc1)N
SPLASH splash10-002f-9140000000-5984c1d898fda0b9fa10
Source of Spectrum F-66-3308-8e
Wiley ID 1683795