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1-[[(1,1-DIMETHYLETHYL)-OXY]-CARBONYL]-1H-BENZIMIDAZOLE-5-CARBOXYLIC-ACID
SpectraBase Compound ID 9KWOxzQVBTo
InChI InChI=1S/2C13H14N2O4/c2*1-13(2,3)19-12(18)15-7-14-9-6-8(11(16)17)4-5-10(9)15/h2*4-7H,1-3H3,(H,16,17)
InChIKey JFRRRMLAKBXFEV-UHFFFAOYSA-N
Mol Weight 524.53 g/mol
Molecular Formula C26H28N4O8
Exact Mass 524.190714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgYS4URlyfz
Name 1-[[(1,1-DIMETHYLETHYL)-OXY]-CARBONYL]-1H-BENZIMIDAZOLE-5-CARBOXYLIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N4O8
InChI InChI=1S/2C13H14N2O4/c2*1-13(2,3)19-12(18)15-7-14-9-6-8(11(16)17)4-5-10(9)15/h2*4-7H,1-3H3,(H,16,17)
InChIKey JFRRRMLAKBXFEV-UHFFFAOYSA-N
Literature Reference Author Z.ZHANG,P.CHALTIN,A.V.AERSCHOT,J.LACEY,J.ROZENSKI,R.BUSSON,P .HERDEWIJN
Literature Reference Citation BIOORG.MED.CHEM.,10,3401(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00268-7
Molecular Weight 524.530 g/mol
Solvent DMSO-D6
Source File Reference UWSI24332