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4-[[5-[(Z)-2-azido-3-ethoxy-3-keto-prop-1-enyl]-2-(methylthio)imidazol-1-yl]methyl]benzoic acid ethyl ester
SpectraBase Compound ID ER5T8rRpAgd
InChI InChI=1S/C19H21N5O4S/c1-4-27-17(25)14-8-6-13(7-9-14)12-24-15(11-21-19(24)29-3)10-16(22-23-20)18(26)28-5-2/h6-11H,4-5,12H2,1-3H3/b16-10-
InChIKey ZEPQCOKOVNWGKM-YBEGLDIGSA-N
Mol Weight 415.47 g/mol
Molecular Formula C19H21N5O4S
Exact Mass 415.131425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdrvTEEwfKN
Name 4-[[5-[(Z)-2-azido-3-ethoxy-3-keto-prop-1-enyl]-2-(methylthio)imidazol-1-yl]methyl]benzoic acid ethyl ester
Alternate Name(s) 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxoprop-1-enyl]-2-(methylthio)-1-imidazolyl]methyl]benzoic acid ethyl ester Ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methylsulfanyl-imidazol-1-yl]methyl]benzoate Ethyl 4-[[5-[(Z)-2-azido-3-ethoxy-3-oxo-prop-1-enyl]-2-methylsulfanyl-imidazol-1-yl]methyl]benzoate
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Formula C19H21N5O4S
InChI InChI=1S/C19H21N5O4S/c1-4-27-17(25)14-8-6-13(7-9-14)12-24-15(11-21-19(24)29-3)10-16(22-23-20)18(26)28-5-2/h6-11H,4-5,12H2,1-3H3/b16-10-
InChIKey ZEPQCOKOVNWGKM-YBEGLDIGSA-N
Molecular Weight 415.468 g/mol
SMILES c1([n](c(nc1)SC)Cc1ccc(C(=O)OCC)cc1)\C=C\(C(=O)OCC)N=[N+]=[N-]
SPLASH splash10-01p9-1900000000-2fd673dde3721726201c
Source of Spectrum Y-39-371-4
Wiley ID 1528455