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1-(benzotriazol-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
SpectraBase Compound ID HgavJY7W0L9
InChI InChI=1S/C10H9N5OS/c16-9-5-14(10(17)11-9)6-15-8-4-2-1-3-7(8)12-13-15/h1-4H,5-6H2,(H,11,16,17)
InChIKey BXKRQSDFFDDOIX-UHFFFAOYSA-N
Mol Weight 247.28 g/mol
Molecular Formula C10H9N5OS
Exact Mass 247.052781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtZwRcDY1iI
Name 1-(benzotriazol-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9N5OS
InChI InChI=1S/C10H9N5OS/c16-9-5-14(10(17)11-9)6-15-8-4-2-1-3-7(8)12-13-15/h1-4H,5-6H2,(H,11,16,17)
InChIKey BXKRQSDFFDDOIX-UHFFFAOYSA-N
Literature Reference Author A.R.KATRITZKY,G.YAO,X.LAN,X.ZHAO
Literature Reference Citation J.ORG.CHEM.,58,2086(1993)
Literature Reference DOI 10.1021/jo00060a025
Molecular Weight 247.274 g/mol
Solvent CDCl3
Source File Reference UWCS22552