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1-Cyclohexyl-5-iodo-6-(p-toluenesulfonyl)hexan-1-ol
SpectraBase Compound ID KBC5G7fEDbV
InChI InChI=1S/C19H29IO3S/c1-15-10-12-18(13-11-15)24(22,23)14-17(20)8-5-9-19(21)16-6-3-2-4-7-16/h10-13,16-17,19,21H,2-9,14H2,1H3
InChIKey NDCCKNHAXZFIPM-UHFFFAOYSA-N
Mol Weight 464.4 g/mol
Molecular Formula C19H29IO3S
Exact Mass 464.088211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnlIsxWWHoo
Name 1-Cyclohexyl-5-iodo-6-(p-toluenesulfonyl)hexan-1-ol
Alternate Name(s) 1-cyclohexyl-5-iodo-6-[(4-methylphenyl)sulfonyl]-1-hexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29IO3S
InChI InChI=1S/C19H29IO3S/c1-15-10-12-18(13-11-15)24(22,23)14-17(20)8-5-9-19(21)16-6-3-2-4-7-16/h10-13,16-17,19,21H,2-9,14H2,1H3
InChIKey NDCCKNHAXZFIPM-UHFFFAOYSA-N
Molecular Weight 464.402 g/mol
SMILES OC(C1CCCCC1)CCCC(CS(c1ccc(cc1)C)(=O)=O)I
SPLASH splash10-004m-7920000000-de4b89051b5fda960aa3
Source of Spectrum F-53-6175-11
Wiley ID 801936