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4-PHENYL-5-THIO-7-ETHOXY-1,4,6-TRIAZATRICYCLO[6.2.2.0(2,7)]DODECANE
SpectraBase Compound ID Jw1FbDL6dNP
InChI InChI=1S/C17H23N3OS/c1-2-21-17-13-8-10-19(11-9-13)15(17)12-20(16(22)18-17)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H,18,22)
InChIKey YJPBOEQUOMNNJM-UHFFFAOYSA-N
Mol Weight 317.45 g/mol
Molecular Formula C17H23N3OS
Exact Mass 317.156184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1d5CKvIRHg0
Name 4-PHENYL-5-THIO-7-ETHOXY-1,4,6-TRIAZATRICYCLO[6.2.2.0(2,7)]DODECANE
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Formula C17H23N3OS
InChI InChI=1S/C17H23N3OS/c1-2-21-17-13-8-10-19(11-9-13)15(17)12-20(16(22)18-17)14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H,18,22)
InChIKey YJPBOEQUOMNNJM-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference V.A.BONDARENKO, E.E.MIKHLINA, T.YA.FILIPENKO, K.F.TURCHIN, YU.N.SHEINKER,L.N.YAKHONTOV (1979) Khim.Heteroc.Soed.(Russ. Lang.): N10, 1393-1397.
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo