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7-iodanyl-2-methyl-8-(4-methylphenyl)sulfonyl-octan-3-ol
SpectraBase Compound ID C4vdJ3hk02h
InChI InChI=1S/C16H25IO3S/c1-12(2)16(18)6-4-5-14(17)11-21(19,20)15-9-7-13(3)8-10-15/h7-10,12,14,16,18H,4-6,11H2,1-3H3
InChIKey QJAPTKNZMJICAY-UHFFFAOYSA-N
Mol Weight 424.34 g/mol
Molecular Formula C16H25IO3S
Exact Mass 424.056911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKHgsrUxZVE
Name 7-iodanyl-2-methyl-8-(4-methylphenyl)sulfonyl-octan-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25IO3S
InChI InChI=1S/C16H25IO3S/c1-12(2)16(18)6-4-5-14(17)11-21(19,20)15-9-7-13(3)8-10-15/h7-10,12,14,16,18H,4-6,11H2,1-3H3
InChIKey QJAPTKNZMJICAY-UHFFFAOYSA-N
Molecular Weight 424.337 g/mol
SMILES OC(CCCC(CS(c1ccc(cc1)C)(=O)=O)I)C(C)C
SPLASH splash10-0596-6910000000-55dc194b9ee1c13c9d76
Source of Spectrum F-53-6175-9
Synonyms 7-iodo-2-methyl-8-(4-methylphenyl)sulfonyloctan-3-ol 7-iodo-2-methyl-8-(p-tolylsulfonyl)octan-3-ol 7-iodo-2-methyl-8-tosyl-octan-3-ol
Wiley ID 801938