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2-Octanol, 1-(phenylsulfinyl)-, acetate, (R*,S*)-
SpectraBase Compound ID B7SHQjddZJH
InChI InChI=1S/C16H24O3S/c1-3-4-5-7-10-15(19-14(2)17)13-20(18)16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13H2,1-2H3
InChIKey UQBJSPHWYPBRSP-UHFFFAOYSA-N
Mol Weight 296.43 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdAs3pykzP6
Name 2-Octanol, 1-(phenylsulfinyl)-, acetate, (R*,S*)-
Alternate Name(s) (2-Acetoxyoctyl)-phenyl-sulfoxide 1-[(phenylsulfinyl)methyl]heptyl acetate
CAS Registry Number 73880-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c1-3-4-5-7-10-15(19-14(2)17)13-20(18)16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13H2,1-2H3
InChIKey UQBJSPHWYPBRSP-UHFFFAOYSA-N
Molecular Weight 296.425 g/mol
SMILES C(S(=O)c1ccccc1)C(OC(=O)C)CCCCCC
SPLASH splash10-0002-0090000000-23387b197f8e808eee87
Source of Spectrum K-113-823-0
Wiley ID 1299001