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Benzenepropanoic acid, 2-chloro-.beta.-[[2-[5-(4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID 8GTDyOhdn1C
InChI InChI=1S/C21H22ClN5O4/c1-3-31-20(29)12-18(16-6-4-5-7-17(16)22)23-19(28)13-27-25-21(24-26-27)14-8-10-15(30-2)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)
InChIKey FQIVGRFJCWFWOQ-UHFFFAOYSA-N
Mol Weight 443.89 g/mol
Molecular Formula C21H22ClN5O4
Exact Mass 443.136032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rc9dmQlGZF
Name Benzenepropanoic acid, 2-chloro-.beta.-[[2-[5-(4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetyl]amino]-, ethyl ester
Alternate Name(s) 3-(2-Chlorophenyl)-3-[[2-[5-(4-methoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]propanoic acid ethyl ester Ethyl 3-(2-chlorophenyl)-3-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]propanoate Ethyl 3-(2-chlorophenyl)-3-[2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoylamino]propanoate
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Formula C21H22ClN5O4
InChI InChI=1S/C21H22ClN5O4/c1-3-31-20(29)12-18(16-6-4-5-7-17(16)22)23-19(28)13-27-25-21(24-26-27)14-8-10-15(30-2)11-9-14/h4-11,18H,3,12-13H2,1-2H3,(H,23,28)
InChIKey FQIVGRFJCWFWOQ-UHFFFAOYSA-N
Molecular Weight 443.891 g/mol
SMILES N(C(c1c(cccc1)Cl)CC(OCC)=O)C(=O)C[n]1nc(nn1)-c1ccc(OC)cc1
SPLASH splash10-02ai-1900000000-868343559f05985e2ceb
Source of Spectrum IY-1-4632-6
Wiley ID 1654309