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4-[2-BENZOYLVINYLSULFANYL-(IMINO)-METHYL]-5-PHENACYL-1,3,4-THIADIAZOLIDIN-2-IMINIUM_PERCHLORATE
SpectraBase Compound ID JLQlyYpR2aA
InChI InChI=1S/C20H18N4O2S2.ClHO4/c21-19-23-24(18(28-19)13-17(26)15-9-5-2-6-10-15)20(22)27-12-11-16(25)14-7-3-1-4-8-14;2-1(3,4)5/h1-12,18,22H,13H2,(H2,21,23);(H,2,3,4,5)/b12-11-,22-20?;
InChIKey RTIIFRAEYZIONS-PPOYLSEXSA-N
Mol Weight 510.97 g/mol
Molecular Formula C20H19ClN4O6S2
Exact Mass 510.043454 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRYm8lQfwdu
Name 4-[2-BENZOYLVINYLSULFANYL-(IMINO)-METHYL]-5-PHENACYL-1,3,4-THIADIAZOLIDIN-2-IMINIUM_PERCHLORATE
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19ClN4O6S2
InChI InChI=1S/C20H18N4O2S2.ClHO4/c21-19-23-24(18(28-19)13-17(26)15-9-5-2-6-10-15)20(22)27-12-11-16(25)14-7-3-1-4-8-14;2-1(3,4)5/h1-12,18,22H,13H2,(H2,21,23);(H,2,3,4,5)/b12-11-,22-20?;
InChIKey RTIIFRAEYZIONS-PPOYLSEXSA-N
Literature Reference Author T.N.KOMAROVA,T.V.NIZOVTSEVA,A.S.NAKHMANOVICH,L.I.LARINA,V.A. LOPYREV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1535(2003)
Literature Reference DOI 10.1023/B:RUJO.0000010578.22280.48
Molecular Weight 510.967 g/mol
Solvent DMSO-D6
Source File Reference UWMZ23212