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1,3-dimethoxy-2-(pentylsulfonyl)benzene
SpectraBase Compound ID 7Hxq3UOmnOk
InChI InChI=1S/C13H20O4S/c1-4-5-6-10-18(14,15)13-11(16-2)8-7-9-12(13)17-3/h7-9H,4-6,10H2,1-3H3
InChIKey KMCSSLTZCHHWAW-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 4E1IAtFE9KB
Name 1,3-dimethoxy-2-(pentylsulfonyl)benzene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4S
InChI InChI=1S/C13H20O4S/c1-4-5-6-10-18(14,15)13-11(16-2)8-7-9-12(13)17-3/h7-9H,4-6,10H2,1-3H3
InChIKey KMCSSLTZCHHWAW-UHFFFAOYSA-N
Instrument Name Shimazdu QP-5000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702892
Quality 78
Reported Formula C13H20O4S
SMILES C1(=C(C=CC=C1OC)OC)S(CCCCC)(=O)=O
SPLASH splash10-000i-0900000000-5f6ddb33e18d672ede3d
Source of Spectrum QE-23-SM8-5g (DOI: 10.1002/chem.201702892)
Thin-Layer Chromatography 0.33 (Hexane/AcOEt, 1:1)
Wiley ID 1905640