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(4RS,4''RS)-DIDEHYDROMIRABAZOLE;DIASTEREOMER-#1
SpectraBase Compound ID JKNyeokbwLq
InChI InChI=1S/C18H22N4S4/c1-10(2)13-21-18(5,8-25-13)16-20-12(7-24-16)14-22-17(4,9-26-14)15-19-11(3)6-23-15/h6-7,10H,8-9H2,1-5H3
InChIKey BDZRADRTDBWWNO-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C18H22N4S4
Exact Mass 422.072731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qzue6vSanY
Name (4RS,4''RS)-DIDEHYDROMIRABAZOLE;DIASTEREOMER-#1
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N4S4
InChI InChI=1S/C18H22N4S4/c1-10(2)13-21-18(5,8-25-13)16-20-12(7-24-16)14-22-17(4,9-26-14)15-19-11(3)6-23-15/h6-7,10H,8-9H2,1-5H3
InChIKey BDZRADRTDBWWNO-UHFFFAOYSA-N
Literature Reference Author G.PATTENDEN,S.M.THOM
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1629(1993)
Literature Reference DOI 10.1039/p19930001629
Molecular Weight 422.639 g/mol
Solvent CDCl3
Source File Reference UWCP7112