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MONOACID;2-(3-((1-H-1,2,4-TRIAZOL-1-YL)-METHYL)-5-(2-CYANOPROPAN-2-YL)-PHENYL)-2-METHYLPROPANOIC_ACID

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MONOACID;2-(3-((1-H-1,2,4-TRIAZOL-1-YL)-METHYL)-5-(2-CYANOPROPAN-2-YL)-PHENYL)-2-METHYLPROPANOIC_ACID
SpectraBase Compound ID 9ELpaJE13Su
InChI InChI=1S/C17H20N4O2/c1-16(2,9-18)13-5-12(8-21-11-19-10-20-21)6-14(7-13)17(3,4)15(22)23/h5-7,10-11H,8H2,1-4H3,(H,22,23)
InChIKey MVGZBWCFHURVNS-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C17H20N4O2
Exact Mass 312.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCRuJpmr5jJ
Name MONOACID;2-(3-((1-H-1,2,4-TRIAZOL-1-YL)-METHYL)-5-(2-CYANOPROPAN-2-YL)-PHENYL)-2-METHYLPROPANOIC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20N4O2
InChI InChI=1S/C17H20N4O2/c1-16(2,9-18)13-5-12(8-21-11-19-10-20-21)6-14(7-13)17(3,4)15(22)23/h5-7,10-11H,8H2,1-4H3,(H,22,23)
InChIKey MVGZBWCFHURVNS-UHFFFAOYSA-N
Literature Reference Author C.SITARAM,R.RUPAKULA,B.N.REDDY
Literature Reference Citation J.PHARM.BIOM.ANAL.,56,962(2011)
Literature Reference DOI 10.1016/j.jpba.2011.08.022
Molecular Weight 312.371 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44155