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7-Iodo-8-(p-toluenesulfonyl)octan-3-ol

View entire compound with spectra: 1 MS (GC)

7-Iodo-8-(p-toluenesulfonyl)octan-3-ol
SpectraBase Compound ID ItsthGoeXEn
InChI InChI=1S/C15H23IO3S/c1-3-14(17)6-4-5-13(16)11-20(18,19)15-9-7-12(2)8-10-15/h7-10,13-14,17H,3-6,11H2,1-2H3
InChIKey XYSWCVLAHUBUEJ-UHFFFAOYSA-N
Mol Weight 410.31 g/mol
Molecular Formula C15H23IO3S
Exact Mass 410.041261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6K2Q8YUqPja
Name 7-Iodo-8-(p-toluenesulfonyl)octan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23IO3S
InChI InChI=1S/C15H23IO3S/c1-3-14(17)6-4-5-13(16)11-20(18,19)15-9-7-12(2)8-10-15/h7-10,13-14,17H,3-6,11H2,1-2H3
InChIKey XYSWCVLAHUBUEJ-UHFFFAOYSA-N
Molecular Weight 410.310 g/mol
SMILES OC(CCCC(CS(c1ccc(cc1)C)(=O)=O)I)CC
SPLASH splash10-0a4l-7910000000-8f89bdca4e46842c3390
Source of Spectrum F-53-6175-8
Synonyms 7-iodo-8-[(4-methylphenyl)sulfonyl]-3-octanol
Wiley ID 801939