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2-[(2-(E)-2-Iodo-3-(phenylsulfonyl)-2-propenyl]-2-methylcyclohexanone
SpectraBase Compound ID 6iFJAfL1MMo
InChI InChI=1S/C16H19IO3S/c1-16(10-6-5-9-15(16)18)11-13(17)12-21(19,20)14-7-3-2-4-8-14/h2-4,7-8,12H,5-6,9-11H2,1H3/b13-12+
InChIKey WKANKKXLFHENTP-OUKQBFOZSA-N
Mol Weight 418.29 g/mol
Molecular Formula C16H19IO3S
Exact Mass 418.009961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrZj1rFpsWU
Name 2-[(2-(E)-2-Iodo-3-(phenylsulfonyl)-2-propenyl]-2-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19IO3S
InChI InChI=1S/C16H19IO3S/c1-16(10-6-5-9-15(16)18)11-13(17)12-21(19,20)14-7-3-2-4-8-14/h2-4,7-8,12H,5-6,9-11H2,1H3/b13-12+
InChIKey WKANKKXLFHENTP-OUKQBFOZSA-N
Molecular Weight 418.289 g/mol
SMILES C(\C(=C/S(=O)(=O)c1ccccc1)I)C1(C(=O)CCCC1)C
SPLASH splash10-004l-9520000000-e035b95782782f5ee566
Source of Spectrum J-57-1176-30
Wiley ID 1377004