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(3S,CIS)-1'-H-3-(4-IMIDAZOLYLMETHYL)-6-(2-THIENYLMETHYL)-PIPERAZIN-2,5-DIONE
SpectraBase Compound ID InzcfOw1bbp
InChI InChI=1S/C13H14N4O2S/c18-12-10(4-8-6-14-7-15-8)16-13(19)11(17-12)5-9-2-1-3-20-9/h1-3,6-7,10-11H,4-5H2,(H,14,15)(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey WOXUAUJIGWCZTD-QWRGUYRKSA-N
Mol Weight 290.34 g/mol
Molecular Formula C13H14N4O2S
Exact Mass 290.083747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLFktX0fLD2
Name (3S,CIS)-1'-H-3-(4-IMIDAZOLYLMETHYL)-6-(2-THIENYLMETHYL)-PIPERAZIN-2,5-DIONE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N4O2S
InChI InChI=1S/C13H14N4O2S/c18-12-10(4-8-6-14-7-15-8)16-13(19)11(17-12)5-9-2-1-3-20-9/h1-3,6-7,10-11H,4-5H2,(H,14,15)(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey WOXUAUJIGWCZTD-QWRGUYRKSA-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 290.340 g/mol
Solvent DMSO-D6
Source File Reference UWMZ723