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8-Chloro-8-(phenylsulfonyl)octanoic acid

View entire compound with spectra: 1 MS (GC)

8-Chloro-8-(phenylsulfonyl)octanoic acid
SpectraBase Compound ID Jcz4X8ZwcUn
InChI InChI=1S/C14H19ClO4S/c15-13(10-6-1-2-7-11-14(16)17)20(18,19)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2,(H,16,17)
InChIKey FKTUJXAGCARKFE-UHFFFAOYSA-N
Mol Weight 318.82 g/mol
Molecular Formula C14H19ClO4S
Exact Mass 318.069258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cHnEWV8STh
Name 8-Chloro-8-(phenylsulfonyl)octanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19ClO4S
InChI InChI=1S/C14H19ClO4S/c15-13(10-6-1-2-7-11-14(16)17)20(18,19)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2,(H,16,17)
InChIKey FKTUJXAGCARKFE-UHFFFAOYSA-N
Molecular Weight 318.815 g/mol
SMILES OC(CCCCCCC(S(=O)(=O)c1ccccc1)Cl)=O
SPLASH splash10-00fr-0900000000-4ad11de2ab1f7853c485
Source of Spectrum AJ-66-2347-6
Wiley ID 772140