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1-(2-besyl-3,6-dihydroxy-phenyl)ethanone
SpectraBase Compound ID 5EweLsVHO9Q
InChI InChI=1S/C14H12O5S/c1-9(15)13-11(16)7-8-12(17)14(13)20(18,19)10-5-3-2-4-6-10/h2-8,16-17H,1H3
InChIKey PNCTUYMQMCIUTR-UHFFFAOYSA-N
Mol Weight 292.3 g/mol
Molecular Formula C14H12O5S
Exact Mass 292.040545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgXMNYQBaWp
Name 1-(2-besyl-3,6-dihydroxy-phenyl)ethanone
Alternate Name(s) 1-[2-(benzenesulfonyl)-3,6-dihydroxy-phenyl]ethanone 1-[3,6-bis(oxidanyl)-2-(phenylsulfonyl)phenyl]ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O5S
InChI InChI=1S/C14H12O5S/c1-9(15)13-11(16)7-8-12(17)14(13)20(18,19)10-5-3-2-4-6-10/h2-8,16-17H,1H3
InChIKey PNCTUYMQMCIUTR-UHFFFAOYSA-N
Molecular Weight 292.305 g/mol
SMILES Oc1c(c(c(cc1)O)C(=O)C)S(=O)(=O)c1ccccc1
SPLASH splash10-0006-9040000000-5e9e242d7cbc47f51cff
Source of Spectrum KC-1992-2881-0
Wiley ID 777098