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Methyl 2-phenylsulphinylhexanoate
SpectraBase Compound ID KjjK2JrUMfo
InChI InChI=1S/C13H18O3S/c1-3-4-10-12(13(14)16-2)17(15)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKey GZCFGOISHXFWHE-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1SVmCh8CYa
Name Methyl 2-phenylsulphinylhexanoate
CAS Registry Number 109328-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-3-4-10-12(13(14)16-2)17(15)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKey GZCFGOISHXFWHE-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES C(S(=O)c1ccccc1)(C(=O)OC)CCCC
SPLASH splash10-004i-0900000000-028e7c81aabdc8c5fd05
Source of Spectrum KC-1986-1943-6
Synonyms Methyl 2-(phenylsulfinyl)hexanoate
Wiley ID 1257483