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2-[(2-(E)-2-Iodo-3-(phenylsulfonyl)-2-propenyl]-6-methylcyclohexanone
SpectraBase Compound ID A3AglCbnSYM
InChI InChI=1S/C16H19IO3S/c1-12-6-5-7-13(16(12)18)10-14(17)11-21(19,20)15-8-3-2-4-9-15/h2-4,8-9,11-13H,5-7,10H2,1H3/b14-11+
InChIKey JNYLJODLFXZCLL-SDNWHVSQSA-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 1k7TJaSv0vs
Name 2-[(2-(E)-2-Iodo-3-(phenylsulfonyl)-2-propenyl]-6-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19IO3S
InChI InChI=1S/C16H19IO3S/c1-12-6-5-7-13(16(12)18)10-14(17)11-21(19,20)15-8-3-2-4-9-15/h2-4,8-9,11-13H,5-7,10H2,1H3/b14-11+
InChIKey JNYLJODLFXZCLL-SDNWHVSQSA-N
Molecular Weight 418.289 g/mol
SMILES C(\C(=C/S(=O)(=O)c1ccccc1)I)C1C(=O)C(C)CCC1
SPLASH splash10-01ta-5980000000-5bf2d49029ce5d7b151e
Source of Spectrum J-57-1176-29
Wiley ID 1377005