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(E)-Ethyl 3-(5-amino-1-benzyl-1H-1,2,4-triazol-3-ylamino)-2-chlorobut-2-enoate
SpectraBase Compound ID 7B0vTCsjkB5
InChI InChI=1S/C15H18ClN5O2/c1-3-23-13(22)12(16)10(2)18-15-19-14(17)21(20-15)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,17,18,19,20)/b12-10+
InChIKey DBUFYUKPTXZTNQ-ZRDIBKRKSA-N
Mol Weight 335.8 g/mol
Molecular Formula C15H18ClN5O2
Exact Mass 335.114903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKegKtECd2
Name (E)-Ethyl 3-(5-amino-1-benzyl-1H-1,2,4-triazol-3-ylamino)-2-chlorobut-2-enoate
Alternate Name(s) (E)-3-[[5-amino-1-(phenylmethyl)-1,2,4-triazol-3-yl]amino]-2-chloro-2-butenoic acid ethyl ester Ethyl (E)-3-[(5-amino-1-benzyl-1,2,4-triazol-3-yl)amino]-2-chlorobut-2-enoate Ethyl (E)-3-[(5-amino-1-benzyl-1,2,4-triazol-3-yl)amino]-2-chloro-but-2-enoate Ethyl (E)-3-[[5-azanyl-1-(phenylmethyl)-1,2,4-triazol-3-yl]amino]-2-chloranyl-but-2-enoate
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Formula C15H18ClN5O2
InChI InChI=1S/C15H18ClN5O2/c1-3-23-13(22)12(16)10(2)18-15-19-14(17)21(20-15)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,17,18,19,20)/b12-10+
InChIKey DBUFYUKPTXZTNQ-ZRDIBKRKSA-N
Molecular Weight 335.795 g/mol
SMILES Nc1nc(n[n]1Cc1ccccc1)N\C(=C/(C(=O)OCC)Cl)C
SPLASH splash10-0006-9000000000-e50edcf2b87b8b2e4e2b
Source of Spectrum F-66-3308-8i
Wiley ID 1683018