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5-(D-MANNO-PENTITOL-1-YL)-3-METHYL-1-(2,4,6-TRICHLOROPHENYL)-1-H-1,2,4-TRIAZOLE

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5-(D-MANNO-PENTITOL-1-YL)-3-METHYL-1-(2,4,6-TRICHLOROPHENYL)-1-H-1,2,4-TRIAZOLE
SpectraBase Compound ID KoOiWvBlO0v
InChI InChI=1S/C14H16Cl3N3O5/c1-5-18-14(13(25)12(24)11(23)9(22)4-21)20(19-5)10-7(16)2-6(15)3-8(10)17/h2-3,9,11-13,21-25H,4H2,1H3/t9-,11-,12+,13+/m0/s1
InChIKey QKLJJQNKUODLNQ-FTYKPCCVSA-N
Mol Weight 412.66 g/mol
Molecular Formula C14H16Cl3N3O5
Exact Mass 411.015554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cc3CXGlJOV7
Name 5-(D-MANNO-PENTITOL-1-YL)-3-METHYL-1-(2,4,6-TRICHLOROPHENYL)-1-H-1,2,4-TRIAZOLE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16Cl3N3O5
InChI InChI=1S/C14H16Cl3N3O5/c1-5-18-14(13(25)12(24)11(23)9(22)4-21)20(19-5)10-7(16)2-6(15)3-8(10)17/h2-3,9,11-13,21-25H,4H2,1H3/t9-,11-,12+,13+/m0/s1
InChIKey QKLJJQNKUODLNQ-FTYKPCCVSA-N
Literature Reference Author N.A.AL-MASOUDI,Y.A.AL-SOUD,I.M.LAGOJA
Literature Reference Citation CARBOHYDR.RES.,318,67(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00084-1
Molecular Weight 412.657 g/mol
Solvent D2O