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2-(3,4-Dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4,5-diphenyl-1,2,4-triazole-3-thione
SpectraBase Compound ID LKMXbsegdOo
InChI InChI=1S/C19H19N3O4S/c23-11-14-15(24)16(25)18(26-14)22-19(27)21(13-9-5-2-6-10-13)17(20-22)12-7-3-1-4-8-12/h1-10,14-16,18,23-25H,11H2
InChIKey SVNPGXUWIKMULY-UHFFFAOYSA-N
Mol Weight 385.44 g/mol
Molecular Formula C19H19N3O4S
Exact Mass 385.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5NzFXyl0f6
Name 2-(3,4-Dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4,5-diphenyl-1,2,4-triazole-3-thione
Comments Computed using HOSE algorithm
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Exact Mass 385.109627274 u
Formula C19H19N3O4S
InChI InChI=1S/C19H19N3O4S/c23-11-14-15(24)16(25)18(26-14)22-19(27)21(13-9-5-2-6-10-13)17(20-22)12-7-3-1-4-8-12/h1-10,14-16,18,23-25H,11H2
InChIKey SVNPGXUWIKMULY-UHFFFAOYSA-N
Molecular Weight 385.438 g/mol
SMILES C1(N(N=C(N1C1=CC=CC=C1)C=1C=CC=CC1)C1C(C(O)C(O1)CO)O)=S