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1-(Phenylsulfinyl)-2-octanol
SpectraBase Compound ID J8kOpaDkdRA
InChI InChI=1S/C14H22O2S/c1-2-3-4-6-9-13(15)12-17(16)14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,2-4,6,9,12H2,1H3
InChIKey QLABGUAHQAQEHK-UHFFFAOYSA-N
Mol Weight 254.39 g/mol
Molecular Formula C14H22O2S
Exact Mass 254.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqKVhgtjNDp
Name 1-(Phenylsulfinyl)-2-octanol
Alternate Name(s) 1-(benzenesulfinyl)-2-octanol 1-(benzenesulfinyl)octan-2-ol 2-Hydroxyoctyl phenyl sulfoxide 1-(Phenylsulfinyl)octan-2-ol
CAS Registry Number 73880-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2S
InChI InChI=1S/C14H22O2S/c1-2-3-4-6-9-13(15)12-17(16)14-10-7-5-8-11-14/h5,7-8,10-11,13,15H,2-4,6,9,12H2,1H3
InChIKey QLABGUAHQAQEHK-UHFFFAOYSA-N
Molecular Weight 254.388 g/mol
SMILES OC(CS(=O)c1ccccc1)CCCCCC
SPLASH splash10-004i-6900000000-8707e5fc264d70836a38
Source of Spectrum K-113-823-0
Wiley ID 1257638