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Benzoic acid, 5-bromo-2-[[(2-cyclohexyl-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl)carbonyl]amino]-
SpectraBase Compound ID 8I33yPUad1x
InChI InChI=1S/C22H19BrN2O5/c23-13-7-9-18(17(11-13)22(29)30)24-19(26)12-6-8-15-16(10-12)21(28)25(20(15)27)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,24,26)(H,29,30)
InChIKey XUWFVNVXSBWXHR-UHFFFAOYSA-N
Mol Weight 471.31 g/mol
Molecular Formula C22H19BrN2O5
Exact Mass 470.047735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0wawFXWkVM
Name Benzoic acid, 5-bromo-2-[[(2-cyclohexyl-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl)carbonyl]amino]-
Alternate Name(s) 5-Bromo-2-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid 5-Bromo-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid 5-Bromo-2-[(2-cyclohexyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid 5-Bromanyl-2-[[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid
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Formula C22H19BrN2O5
InChI InChI=1S/C22H19BrN2O5/c23-13-7-9-18(17(11-13)22(29)30)24-19(26)12-6-8-15-16(10-12)21(28)25(20(15)27)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,24,26)(H,29,30)
InChIKey XUWFVNVXSBWXHR-UHFFFAOYSA-N
Molecular Weight 471.307 g/mol
SMILES N(c1c(C(=O)O)cc(cc1)Br)C(c1cc2C(N(C(c2cc1)=O)C1CCCCC1)=O)=O
SPLASH splash10-00b9-4837900000-4d18a8d4e555e93f10b6
Source of Spectrum IY-1-4671-5
Wiley ID 1654698