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1-Cyclohexyl-4-iodo-5-(p-toluenesulfonyl)pentan-1-ol
SpectraBase Compound ID JbgguDpgcH1
InChI InChI=1S/C18H27IO3S/c1-14-7-10-17(11-8-14)23(21,22)13-16(19)9-12-18(20)15-5-3-2-4-6-15/h7-8,10-11,15-16,18,20H,2-6,9,12-13H2,1H3
InChIKey WUADJTUSJJMZPM-UHFFFAOYSA-N
Mol Weight 450.38 g/mol
Molecular Formula C18H27IO3S
Exact Mass 450.072561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EsX7uS3cV6
Name 1-Cyclohexyl-4-iodo-5-(p-toluenesulfonyl)pentan-1-ol
Alternate Name(s) 1-cyclohexyl-4-iodo-5-[(4-methylphenyl)sulfonyl]-1-pentanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27IO3S
InChI InChI=1S/C18H27IO3S/c1-14-7-10-17(11-8-14)23(21,22)13-16(19)9-12-18(20)15-5-3-2-4-6-15/h7-8,10-11,15-16,18,20H,2-6,9,12-13H2,1H3
InChIKey WUADJTUSJJMZPM-UHFFFAOYSA-N
Molecular Weight 450.375 g/mol
SMILES OC(CCC(CS(c1ccc(cc1)C)(=O)=O)I)C1CCCCC1
SPLASH splash10-052g-8930000000-8464007ca8653b4eef5c
Source of Spectrum F-53-6176-21
Wiley ID 801933