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1-AMINO-2-METHYLTHIO-4-PHENYL-5-(4-PHENYL-3,5-DIOXO-1,2,4-TRIAZOLIDIN-1-YL)-1-IMIDAZOLE
SpectraBase Compound ID KjCfxu0XtvF
InChI InChI=1S/C18H16N6O2S/c1-27-17-20-14(12-8-4-2-5-9-12)15(23(17)19)24-18(26)22(16(25)21-24)13-10-6-3-7-11-13/h2-11H,19H2,1H3,(H,21,25)
InChIKey ASYWJEZJGGQFHS-UHFFFAOYSA-N
Mol Weight 380.43 g/mol
Molecular Formula C18H16N6O2S
Exact Mass 380.105545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TBX8LeTuQm
Name 1-AMINO-2-METHYLTHIO-4-PHENYL-5-(4-PHENYL-3,5-DIOXO-1,2,4-TRIAZOLIDIN-1-YL)-1-IMIDAZOLE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16N6O2S
InChI InChI=1S/C18H16N6O2S/c1-27-17-20-14(12-8-4-2-5-9-12)15(23(17)19)24-18(26)22(16(25)21-24)13-10-6-3-7-11-13/h2-11H,19H2,1H3,(H,21,25)
InChIKey ASYWJEZJGGQFHS-UHFFFAOYSA-N
Literature Reference Author C.YAMAZAKI,H.ARIMA,S.UDAGAWA
Literature Reference Citation J.HETCYCL.CHEM.,33,41(1996)
Literature Reference DOI 10.1002/jhet.5570330107
Molecular Weight 380.424 g/mol
Solvent CDCl3
Source File Reference UWCS20913