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CIS/TRANS-3-IODO-6-(PHENYLSULFONYL)-CYCLOHEXENE
SpectraBase Compound ID BHToDg7caNN
InChI InChI=1S/2C12H13IO2S/c2*13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h2*1-6,8,10,12H,7,9H2/t10-,12+;10-,12-/m11/s1
InChIKey HHSQREDFTKBYHA-IGKZSRIQSA-N
Mol Weight 696.4 g/mol
Molecular Formula C24H26I2O4S2
Exact Mass 695.936192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9hbE4Hgsz7
Name CIS/TRANS-3-IODO-6-(PHENYLSULFONYL)-CYCLOHEXENE
Compound Number COMPO UND-#11A+#11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26I2O4S2
InChI InChI=1S/2C12H13IO2S/c2*13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h2*1-6,8,10,12H,7,9H2/t10-,12+;10-,12-/m11/s1
InChIKey HHSQREDFTKBYHA-IGKZSRIQSA-N
Literature Reference Author R.R.WOLFF,V.BASAVA,R.M.GIULIANO,W.J.BOYKO,J.H.SCHAUBLE
Literature Reference Citation CAN.J.CHEM.,84,667(2006)
Literature Reference DOI 10.1139/v06-051
Molecular Weight 696.397 g/mol
Sample ID 46709
Solvent CDCl3