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(3S,CIS)-3-(2-METHYL-1H-IMIDAZOLE-4-YL)-6-PHENYLMETHYL-PIPERAZINE-2,5-DION

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(3S,CIS)-3-(2-METHYL-1H-IMIDAZOLE-4-YL)-6-PHENYLMETHYL-PIPERAZINE-2,5-DION
SpectraBase Compound ID AQtzDcY3vru
InChI InChI=1S/C16H18N4O2/c1-10-17-9-12(18-10)8-14-16(22)19-13(15(21)20-14)7-11-5-3-2-4-6-11/h2-6,9,13-14H,7-8H2,1H3,(H,17,18)(H,19,22)(H,20,21)/t13-,14-/m1/s1
InChIKey DYGGEXFFBSGNRT-ZIAGYGMSSA-N
Mol Weight 298.35 g/mol
Molecular Formula C16H18N4O2
Exact Mass 298.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMbbFnO0sC5
Name (3S,CIS)-3-(2-METHYL-1H-IMIDAZOLE-4-YL)-6-PHENYLMETHYL-PIPERAZINE-2,5-DION
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N4O2
InChI InChI=1S/C16H18N4O2/c1-10-17-9-12(18-10)8-14-16(22)19-13(15(21)20-14)7-11-5-3-2-4-6-11/h2-6,9,13-14H,7-8H2,1H3,(H,17,18)(H,19,22)(H,20,21)/t13-,14-/m1/s1
InChIKey DYGGEXFFBSGNRT-ZIAGYGMSSA-N
Literature Reference Author CR.NOE,A.WEIGAND,S.PIRKER,P.LIEPERT
Literature Reference Citation MH.CHEM.,128,301(1997)
Literature Reference DOI 10.1007/BF00807896
Molecular Weight 298.345 g/mol
Solvent DMSO
Source File Reference UWRJ38