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5-[[2-[1-(2,6-dimethylphenyl)-5-tetrazolyl]butan-2-ylamino]methyl]-2-furancarboxylic acid ethyl ester
SpectraBase Compound ID D1M8HwMjqhe
InChI InChI=1S/C21H27N5O3/c1-6-21(5,22-13-16-11-12-17(29-16)19(27)28-7-2)20-23-24-25-26(20)18-14(3)9-8-10-15(18)4/h8-12,22H,6-7,13H2,1-5H3
InChIKey NJJZSPJMPUTPTO-UHFFFAOYSA-N
Mol Weight 397.48 g/mol
Molecular Formula C21H27N5O3
Exact Mass 397.21139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AS5XIojdlWX
Name 5-[[2-[1-(2,6-dimethylphenyl)-5-tetrazolyl]butan-2-ylamino]methyl]-2-furancarboxylic acid ethyl ester
Alternate Name(s) 5-[[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-methyl-propyl]amino]methyl]furan-2-carboxylic acid ethyl ester Ethyl 5-[[2-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]butan-2-ylamino]methyl]furan-2-carboxylate Ethyl 5-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-ylamino]methyl]furan-2-carboxylate Ethyl 5-[[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-methyl-propyl]amino]methyl]furan-2-carboxylate
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Formula C21H27N5O3
InChI InChI=1S/C21H27N5O3/c1-6-21(5,22-13-16-11-12-17(29-16)19(27)28-7-2)20-23-24-25-26(20)18-14(3)9-8-10-15(18)4/h8-12,22H,6-7,13H2,1-5H3
InChIKey NJJZSPJMPUTPTO-UHFFFAOYSA-N
Molecular Weight 397.479 g/mol
SMILES N(C(c1[n](nnn1)-c1c(cccc1C)C)(CC)C)Cc1oc(C(=O)OCC)cc1
SPLASH splash10-0ufr-7910000000-6951d4c92ec94cba464e
Wiley ID 1442325