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CIS-1,2,3,4A,5,6,7,7A-OCTAHYDRO-4-OXO-2-THIOOXOCYCLOPENTA-[D]-PYRIMIDINE
SpectraBase Compound ID HNB6mywcLw8
InChI InChI=1S/C7H10N2OS/c10-6-4-2-1-3-5(4)8-7(11)9-6/h4-5H,1-3H2,(H2,8,9,10,11)/t4-,5+/m0/s1
InChIKey PDWRDVSRGYBGSW-CRCLSJGQSA-N
Mol Weight 170.23 g/mol
Molecular Formula C7H10N2OS
Exact Mass 170.051384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYLvDSPysF
Name CIS-1,2,3,4A,5,6,7,7A-OCTAHYDRO-4-OXO-2-THIOOXOCYCLOPENTA-[D]-PYRIMIDINE
Compound Number CIS-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10N2OS
InChI InChI=1S/C7H10N2OS/c10-6-4-2-1-3-5(4)8-7(11)9-6/h4-5H,1-3H2,(H2,8,9,10,11)/t4-,5+/m0/s1
InChIKey PDWRDVSRGYBGSW-CRCLSJGQSA-N
Literature Reference Author E.ATAY,I.B.BLAGOEVA,F.L.CHUBB,J.T.EDWARD,I.G.POJARLIEFF,M.M. TOTEVA
Literature Reference Citation CAN.J.CHEM.,78,84(2000)
Literature Reference DOI 10.1139/cjc-78-1-84
Molecular Weight 170.229 g/mol
Solvent DMSO-D6
Source File Reference UWSI557