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Benzoic acid, 4-[5-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-methyl-1-(methylamino)ethyl]-1H-1,2,3,4-tetrazol-1-yl]-, ethyl ester
SpectraBase Compound ID 9nOVXoVnuIl
InChI InChI=1S/C22H22N6O4/c1-4-32-20(31)14-9-11-15(12-10-14)28-21(24-25-26-28)22(2,23-3)13-27-18(29)16-7-5-6-8-17(16)19(27)30/h5-12,23H,4,13H2,1-3H3
InChIKey OKGNETCPZUNFFS-UHFFFAOYSA-N
Mol Weight 434.46 g/mol
Molecular Formula C22H22N6O4
Exact Mass 434.170253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QPFYZdoWA7
Name Benzoic acid, 4-[5-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-methyl-1-(methylamino)ethyl]-1H-1,2,3,4-tetrazol-1-yl]-, ethyl ester
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Formula C22H22N6O4
InChI InChI=1S/C22H22N6O4/c1-4-32-20(31)14-9-11-15(12-10-14)28-21(24-25-26-28)22(2,23-3)13-27-18(29)16-7-5-6-8-17(16)19(27)30/h5-12,23H,4,13H2,1-3H3
InChIKey OKGNETCPZUNFFS-UHFFFAOYSA-N
Molecular Weight 434.456 g/mol
SMILES N(C(c1[n](nnn1)-c1ccc(C(=O)OCC)cc1)(CN1C(c2ccccc2C1=O)=O)C)C
SPLASH splash10-0ab9-9340000000-cdc4ecb9b5b188ae610e
Source of Spectrum IY-2-5048-8
Synonyms Ethyl 4-{5-[1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-(methylamino)propan-2-yl]-1H-1,2,3,4-tetrazol-1-yl}benzoate 4-[5-[1-(1,3-dioxo-2-isoindolyl)-2-(methylamino)propan-2-yl]-1-tetrazolyl]benzoic acid ethyl ester Ethyl 4-[5-[1-(1,3-dioxoisoindol-2-yl)-2-(methylamino)propan-2-yl]tetrazol-1-yl]benzoate Ethyl 4-[5-[2-(1,3-dioxoisoindolin-2-yl)-1-methyl-1-(methylamino)ethyl]tetrazol-1-yl]benzoate Ethyl 4-[5-[1-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-(methylamino)propan-2-yl]-1,2,3,4-tetrazol-1-yl]benzoate
Wiley ID 1658471