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(Z)-Ethyl 3-(5-amino-1-phenyl-1H-1,2,4-triazol-3-ylamino)-hex-2-enoate
SpectraBase Compound ID DIoazDjVRKr
InChI InChI=1S/C16H21N5O2/c1-3-8-12(11-14(22)23-4-2)18-16-19-15(17)21(20-16)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H3,17,18,19,20)/b12-11-
InChIKey VFLGNTDAXUHQJZ-QXMHVHEDSA-N
Mol Weight 315.38 g/mol
Molecular Formula C16H21N5O2
Exact Mass 315.169525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 796yP6wjyt7
Name (Z)-Ethyl 3-(5-amino-1-phenyl-1H-1,2,4-triazol-3-ylamino)-hex-2-enoate
Alternate Name(s) (Z)-3-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]-2-hexenoic acid ethyl ester Ethyl (Z)-3-[(5-amino-1-phenyl-1,2,4-triazol-3-yl)amino]hex-2-enoate Ethyl (Z)-3-[(5-azanyl-1-phenyl-1,2,4-triazol-3-yl)amino]hex-2-enoate
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Formula C16H21N5O2
InChI InChI=1S/C16H21N5O2/c1-3-8-12(11-14(22)23-4-2)18-16-19-15(17)21(20-16)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8H2,1-2H3,(H3,17,18,19,20)/b12-11-
InChIKey VFLGNTDAXUHQJZ-QXMHVHEDSA-N
Molecular Weight 315.377 g/mol
SMILES N(c1nc([n](n1)-c1ccccc1)N)\C(=C/C(=O)OCC)CCC
SPLASH splash10-00mo-9462000000-77d16cf0ce176f25e494
Source of Spectrum F-66-3308-8f
Wiley ID 1683794