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(3S,CIS)-1'-H-6-((5-CHLORO-2-THIENYL)-METHYL)-3-(4-IMIDAZOLYLMETHYL)-PIPERAZIN-2,5-DIONE

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(3S,CIS)-1'-H-6-((5-CHLORO-2-THIENYL)-METHYL)-3-(4-IMIDAZOLYLMETHYL)-PIPERAZIN-2,5-DIONE
SpectraBase Compound ID BpFkLyZ9iOg
InChI InChI=1S/C13H13ClN4O2S/c14-11-2-1-8(21-11)4-10-13(20)17-9(12(19)18-10)3-7-5-15-6-16-7/h1-2,5-6,9-10H,3-4H2,(H,15,16)(H,17,20)(H,18,19)/t9-,10-/m0/s1
InChIKey WKWWKLBJEKGWCR-UWVGGRQHSA-N
Mol Weight 324.79 g/mol
Molecular Formula C13H13ClN4O2S
Exact Mass 324.044775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGYoNOXsblS
Name (3S,CIS)-1'-H-6-((5-CHLORO-2-THIENYL)-METHYL)-3-(4-IMIDAZOLYLMETHYL)-PIPERAZIN-2,5-DIONE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClN4O2S
InChI InChI=1S/C13H13ClN4O2S/c14-11-2-1-8(21-11)4-10-13(20)17-9(12(19)18-10)3-7-5-15-6-16-7/h1-2,5-6,9-10H,3-4H2,(H,15,16)(H,17,20)(H,18,19)/t9-,10-/m0/s1
InChIKey WKWWKLBJEKGWCR-UWVGGRQHSA-N
Literature Reference Author C.R.NOE,A.WEIGAND,S.PIRKER
Literature Reference Citation MH.CHEM.,127,1081(1996)
Literature Reference DOI 10.1007/BF00807581
Molecular Weight 324.785 g/mol
Solvent DMSO-D6
Source File Reference UWMZ724