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(2Z)-2-cyano-2-(4-isopropyl-5-keto-imidazolidin-2-ylidene)acetic acid methyl ester
SpectraBase Compound ID FsQi60iSqSO
InChI InChI=1S/C10H13N3O3/c1-5(2)7-9(14)13-8(12-7)6(4-11)10(15)16-3/h5,7,12H,1-3H3,(H,13,14)/b8-6-
InChIKey ZPJVSBOFHQWFEP-VURMDHGXSA-N
Mol Weight 223.23 g/mol
Molecular Formula C10H13N3O3
Exact Mass 223.095691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IU0OzMV0sS4
Name (2Z)-2-cyano-2-(4-isopropyl-5-keto-imidazolidin-2-ylidene)acetic acid methyl ester
CAS Registry Number 127855-61-2
Compound Number 5E'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13N3O3
InChI InChI=1S/C10H13N3O3/c1-5(2)7-9(14)13-8(12-7)6(4-11)10(15)16-3/h5,7,12H,1-3H3,(H,13,14)/b8-6-
InChIKey ZPJVSBOFHQWFEP-VURMDHGXSA-N
Literature Reference Author R.NEIDLEIN,Z.SUI
Literature Reference Citation CHEM.BER.,123,2203(1990)
Literature Reference DOI 10.1002/cber.19901231119
Molecular Weight 223.232 g/mol
Solvent DMSO-D6
Source File Reference UWED6758