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benzoic acid, 4-[[[[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID 1Dla8ynbd05
InChI InChI=1S/C21H23N5O3S/c1-5-29-20(28)16-6-8-17(9-7-16)22-18(27)12-30-21-23-24-25-26(21)19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,22,27)
InChIKey GOYMSEXNAHYOME-UHFFFAOYSA-N
Mol Weight 425.51 g/mol
Molecular Formula C21H23N5O3S
Exact Mass 425.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTkw2GBiRdL
Name 4-[[1-oxo-2-[[1-(2,4,6-trimethylphenyl)-5-tetrazolyl]thio]ethyl]amino]benzoic acid ethyl ester
Alternate Name(s) 4-[[2-[(1-mesityltetrazol-5-yl)thio]acetyl]amino]benzoic acid ethyl ester Ethyl 4-[2-[[1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate Ethyl 4-[[2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
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Formula C21H23N5O3S
InChI InChI=1S/C21H23N5O3S/c1-5-29-20(28)16-6-8-17(9-7-16)22-18(27)12-30-21-23-24-25-26(21)19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,22,27)
InChIKey GOYMSEXNAHYOME-UHFFFAOYSA-N
Molecular Weight 425.507 g/mol
SMILES N(C(CSc1[n](nnn1)-c1c(cc(cc1C)C)C)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-08fr-2900000000-8863e25bf70c45875240
Wiley ID 1453337