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4-(2'-O-ACETYL-3'-DEOXY-3'-ISOTHIOCYANATO-ALPHA-L-THREOFURANOSYL)-1,3-DIHYDRO-3-METHYL-1-PARA-TOLYL-2H-IMIDAZOLE-2-THIONE
SpectraBase Compound ID BVkZm7VuHB4
InChI InChI=1S/C18H19N3O3S2/c1-11-4-6-13(7-5-11)21-8-15(20(3)18(21)26)17-16(24-12(2)22)14(9-23-17)19-10-25/h4-8,14,16-17H,9H2,1-3H3/t14-,16+,17-/m0/s1
InChIKey JXBBLNSESARORD-UAGQMJEPSA-N
Mol Weight 389.49 g/mol
Molecular Formula C18H19N3O3S2
Exact Mass 389.086784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Qk3ca9iMqq
Name 4-(2'-O-ACETYL-3'-DEOXY-3'-ISOTHIOCYANATO-ALPHA-L-THREOFURANOSYL)-1,3-DIHYDRO-3-METHYL-1-PARA-TOLYL-2H-IMIDAZOLE-2-THIONE
Compound Number 49
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19N3O3S2
InChI InChI=1S/C18H19N3O3S2/c1-11-4-6-13(7-5-11)21-8-15(20(3)18(21)26)17-16(24-12(2)22)14(9-23-17)19-10-25/h4-8,14,16-17H,9H2,1-3H3/t14-,16+,17-/m0/s1
InChIKey JXBBLNSESARORD-UAGQMJEPSA-N
Literature Reference Author J.FUENTES,M.ANGULO,M.A.PRADERA
Literature Reference Citation J.ORG.CHEM.,67,2577(2002)
Literature Reference DOI 10.1021/jo0110303
Molecular Weight 389.487 g/mol
Solvent CDCl3
Source File Reference UWSI21462