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3A,7A-TRICYCLO-[3.4.4]-BUTANOHEXAHYDRO-1H-IMIDAZO-[4,5-B]-PYRAZINE-2(3H)-THIONE
SpectraBase Compound ID LkxQR17Vntr
InChI InChI=1S/C9H16N4S/c14-7-12-8-3-1-2-4-9(8,13-7)11-6-5-10-8/h10-11H,1-6H2,(H2,12,13,14)/t8-,9+
InChIKey AXFHYOYSMZKPSU-DTORHVGOSA-N
Mol Weight 212.31 g/mol
Molecular Formula C9H16N4S
Exact Mass 212.109568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SGo0i7tVWD
Name 3A,7A-TRICYCLO-[3.4.4]-BUTANOHEXAHYDRO-1H-IMIDAZO-[4,5-B]-PYRAZINE-2(3H)-THIONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16N4S
InChI InChI=1S/C9H16N4S/c14-7-12-8-3-1-2-4-9(8,13-7)11-6-5-10-8/h10-11H,1-6H2,(H2,12,13,14)/t8-,9+
InChIKey AXFHYOYSMZKPSU-DTORHVGOSA-N
Literature Reference Author K.NAKAHARA,S.TAKECHI,K.YAMAGUCHI,K.HARANO,T.YAMAGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,57,1371(2009)
Literature Reference DOI 10.1248/cpb.57.1371
Molecular Weight 212.313 g/mol
Sample ID 3178
Solvent DMSO-D6