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CIS-4-PHENYLIMINO-1,2,3,4A,5,6,7,7A-OCTAHYDRO-3-PHENYL-2-THIOOXOCYCLOPENTA-[D]-PYRIMIDINE;MAJOR-ISOMER
SpectraBase Compound ID B3IpkvrKhfG
InChI InChI=1S/C13H15N3S/c17-13-15-11-8-4-7-10(11)12(16-13)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H2,14,15,16,17)/t10-,11+/m0/s1
InChIKey XWMOAHQYIHAFSD-WDEREUQCSA-N
Mol Weight 245.34 g/mol
Molecular Formula C13H15N3S
Exact Mass 245.098669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9WCF9yD7Ew
Name CIS-4-PHENYLIMINO-1,2,3,4A,5,6,7,7A-OCTAHYDRO-3-PHENYL-2-THIOOXOCYCLOPENTA-[D]-PYRIMIDINE;MAJOR-ISOMER
Compound Number CIS-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15N3S
InChI InChI=1S/C13H15N3S/c17-13-15-11-8-4-7-10(11)12(16-13)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H2,14,15,16,17)/t10-,11+/m0/s1
InChIKey XWMOAHQYIHAFSD-WDEREUQCSA-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 245.342 g/mol
Solvent DMSO-D6
Source File Reference UWSI556