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Benzenepropanoic acid, 2-chloro-.beta.-[[2-[5-(2-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID FbYVnGuv2g6
InChI InChI=1S/C21H22ClN5O3/c1-3-30-20(29)12-18(16-10-6-7-11-17(16)22)23-19(28)13-27-25-21(24-26-27)15-9-5-4-8-14(15)2/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)
InChIKey XRMJGJSNJOJCNK-UHFFFAOYSA-N
Mol Weight 427.89 g/mol
Molecular Formula C21H22ClN5O3
Exact Mass 427.141117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEvjGMZVVUi
Name Benzenepropanoic acid, 2-chloro-.beta.-[[2-[5-(2-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetyl]amino]-, ethyl ester
Alternate Name(s) 3-(2-Chlorophenyl)-3-[[2-[5-(2-methylphenyl)-2-tetrazolyl]-1-oxoethyl]amino]propanoic acid ethyl ester Ethyl 3-(2-chlorophenyl)-3-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]propanoate Ethyl 3-(2-chlorophenyl)-3-[[2-[5-(o-tolyl)tetrazol-2-yl]acetyl]amino]propanoate Ethyl 3-(2-chlorophenyl)-3-[2-[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoylamino]propanoate
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Formula C21H22ClN5O3
InChI InChI=1S/C21H22ClN5O3/c1-3-30-20(29)12-18(16-10-6-7-11-17(16)22)23-19(28)13-27-25-21(24-26-27)15-9-5-4-8-14(15)2/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)
InChIKey XRMJGJSNJOJCNK-UHFFFAOYSA-N
Molecular Weight 427.892 g/mol
SMILES N(C(C[n]1nc(nn1)-c1c(C)cccc1)=O)C(CC(=O)OCC)c1ccccc1Cl
SPLASH splash10-00kb-1901000000-e2367f20455ae76ecaf2
Source of Spectrum IY-1-4625-5
Wiley ID 1654238