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 Google Search
Mol Weight	272.36 g/mol
Molecular Formula	C13H20O4S
Exact Mass	272.10823 g/mol

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SpectraBase Spectrum ID	EkkddQr4cEc
Name	Benzene, [(4,4-dimethoxypentyl)sulfonyl]-
CAS Registry Number	111087-06-0
Comments	Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821079
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	1275867