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Phenol, 4-[(3-methylbutyl)sulfonyl]-
SpectraBase Compound ID LTMwWDx7tIS
InChI InChI=1S/C11H16O3S/c1-9(2)7-8-15(13,14)11-5-3-10(12)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKey JCESZKOLPITOBW-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lagvKBmMqu
Name Phenol, 4-[(3-methylbutyl)sulfonyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3S
InChI InChI=1S/C11H16O3S/c1-9(2)7-8-15(13,14)11-5-3-10(12)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKey JCESZKOLPITOBW-UHFFFAOYSA-N
Molecular Weight 228.306 g/mol
SMILES Oc1ccc(S(CCC(C)C)(=O)=O)cc1
SPLASH splash10-052f-9400000000-2a97164b099f71b70eba
Source of Spectrum JX-2015-0-789
Synonyms 4-(Isopentylsulfonyl)phenol 4-[(3-Methylbutyl)sulfonyl]phenol 4-Isopentylsulfonylphenol 4-(3-Methylbutylsulfonyl)phenol
Wiley ID 1720680