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7-Iodo-2,2-dimethyl-8-(p-toluenesulfonyl)octan-3-ol
SpectraBase Compound ID 9g3L9AZs5VG
InChI InChI=1S/C17H27IO3S/c1-13-8-10-15(11-9-13)22(20,21)12-14(18)6-5-7-16(19)17(2,3)4/h8-11,14,16,19H,5-7,12H2,1-4H3
InChIKey ABQNUUYXVNVAPM-UHFFFAOYSA-N
Mol Weight 438.36 g/mol
Molecular Formula C17H27IO3S
Exact Mass 438.072561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHEzcg5DSbI
Name 7-Iodo-2,2-dimethyl-8-(p-toluenesulfonyl)octan-3-ol
Alternate Name(s) 7-iodo-2,2-dimethyl-8-[(4-methylphenyl)sulfonyl]-3-octanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27IO3S
InChI InChI=1S/C17H27IO3S/c1-13-8-10-15(11-9-13)22(20,21)12-14(18)6-5-7-16(19)17(2,3)4/h8-11,14,16,19H,5-7,12H2,1-4H3
InChIKey ABQNUUYXVNVAPM-UHFFFAOYSA-N
Molecular Weight 438.364 g/mol
SMILES OC(C(C)(C)C)CCCC(CS(c1ccc(cc1)C)(=O)=O)I
SPLASH splash10-000l-5921100000-2c35686e7237a180512c
Source of Spectrum F-53-6175-10
Wiley ID 801937