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Benzene, [(4,4-dimethoxypentyl)sulfonyl]-
SpectraBase Compound ID I9VRmu4MVhv
InChI InChI=1S/C13H20O4S/c1-13(16-2,17-3)10-7-11-18(14,15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey SPNAKDPGNAVVSU-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C13H20O4S
Exact Mass 272.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FR15eK6SZqN
Name Benzene, [(4,4-dimethoxypentyl)sulfonyl]-
CAS Registry Number 111087-06-0
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1275867 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4S
InChI InChI=1S/C13H20O4S/c1-13(16-2,17-3)10-7-11-18(14,15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey SPNAKDPGNAVVSU-UHFFFAOYSA-N
Molecular Weight 272.359 g/mol
SMILES c1(S(=O)(=O)CCCC(OC)(OC)C)ccccc1
SPLASH splash10-000i-9010000000-8181434c55df77e2fe81
Source of Spectrum J-53-536-0
Synonyms 4,4-Dimethoxy-1-(phenylsulfonyl)pentane 4,4-Dimethoxypentyl phenyl sulfone [(4,4-Dimethoxypentyl)sulfonyl]benzene
Wiley ID 1821079