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8-METHYLSULFONYL-13-IODO-8-AZATRICYCLO-[7.3.1.0(2,7)]-TRIDECA-2,4,6-TRIENE
SpectraBase Compound ID HUVaznbt3cY
InChI InChI=1S/C13H16INO2S/c1-18(16,17)15-11-7-3-2-5-9(11)10-6-4-8-12(15)13(10)14/h2-3,5,7,10,12-13H,4,6,8H2,1H3/t10-,12-,13-/m0/s1
InChIKey VCLCZGAGWZSODI-DRZSPHRISA-N
Mol Weight 377.24 g/mol
Molecular Formula C13H16INO2S
Exact Mass 376.994645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3ca4xcQJIF
Name 8-METHYLSULFONYL-13-IODO-8-AZATRICYCLO-[7.3.1.0(2,7)]-TRIDECA-2,4,6-TRIENE
Compound Number XII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16INO2S
InChI InChI=1S/C13H16INO2S/c1-18(16,17)15-11-7-3-2-5-9(11)10-6-4-8-12(15)13(10)14/h2-3,5,7,10,12-13H,4,6,8H2,1H3/t10-,12-,13-/m0/s1
InChIKey VCLCZGAGWZSODI-DRZSPHRISA-N
Literature Reference Author R.R.GATAULLIN,F.F.MINNIGULOV,A.A.FATYKHOV,L.V.SPIRIKHIN,I.B. ABDRAKHMANOV
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1289(2001)
Literature Reference DOI 10.1023/A:1013183605455
Molecular Weight 377.240 g/mol
Solvent CDCl3
Source File Reference UWVN5665