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BIS-[1-PHENYL-3-METHYL-5-OXY-1,2,3-TRIAZOL-4-YL]-SULFOXIDE
SpectraBase Compound ID 4Qus5KoHwMT
InChI InChI=1S/C18H16N6O3S/c1-21-17(15(25)23(19-21)13-9-5-3-6-10-13)28(27)18-16(26)24(20-22(18)2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey XMNQTRXDUAPZKD-UHFFFAOYSA-N
Mol Weight 396.43 g/mol
Molecular Formula C18H16N6O3S
Exact Mass 396.10046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5w1y4sbCrGq
Name BIS-[1-PHENYL-3-METHYL-5-OXY-1,2,3-TRIAZOL-4-YL]-SULFOXIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16N6O3S
InChI InChI=1S/C18H16N6O3S/c1-21-17(15(25)23(19-21)13-9-5-3-6-10-13)28(27)18-16(26)24(20-22(18)2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey XMNQTRXDUAPZKD-UHFFFAOYSA-N
Literature Reference Author W.BOCIAN,J.W.WIENCH,L.STEFANIAK,G.A.WEBB
Literature Reference Citation MAGN.RES.CHEM.,34,453(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199606)34:6<453::aid-omr884>3.0.co;2-z
Molecular Weight 396.423 g/mol
Solvent CDCl3
Source File Reference UWRK3881