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2-[(4S)-4-(4-cyanophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]acetic acid

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2-[(4S)-4-(4-cyanophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]acetic acid
SpectraBase Compound ID K13LJwqoAgI
InChI InChI=1S/C13H11N3O4/c1-13(9-4-2-8(6-14)3-5-9)11(19)16(7-10(17)18)12(20)15-13/h2-5H,7H2,1H3,(H,15,20)(H,17,18)/t13-/m0/s1
InChIKey BFLLTLLVSMDIMJ-ZDUSSCGKSA-N
Mol Weight 273.25 g/mol
Molecular Formula C13H11N3O4
Exact Mass 273.074956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2IPdrfOUJvx
Name 2-[(4S)-4-(4-cyanophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]acetic acid
Compound Number 1824
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11N3O4
InChI InChI=1S/C13H11N3O4/c1-13(9-4-2-8(6-14)3-5-9)11(19)16(7-10(17)18)12(20)15-13/h2-5H,7H2,1H3,(H,15,20)(H,17,18)/t13-/m0/s1
InChIKey BFLLTLLVSMDIMJ-ZDUSSCGKSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 273.248 g/mol
Sample ID 6525
Solvent DMSO-D6