1-(3-{[(5-Acetyl-2-methoxybenzyl)thio]methyl}-4-methoxyphenyl)ethan-1-one

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Systematic / IUPAC Name: 1,1'-{Sulfanediylbis[methylene(4-methoxy-3,1-phenylene)]}diethanone

ID: Reference5594

Other Names: Ethanone, 1,1'-{thiobis[methylene(4-methoxy-3,1-phenylene)]}bis-

Formula: C20H22O4S

Spectral Data

1-(3-{[(5-Acetyl-2-methoxybenzyl)thio]methyl}-4-methoxyphenyl)ethan-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2016 2:23:20 PM
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Identificators

InChI InChI=1S/C20H22O4S/c1-13(21)15-5-7-19(23-3)17(9-15)11-25-12-18-10-16(14(2)22)6-8-20(18)24-4/h5-10H,11-12H2,1-4H3
InChI Key BQRPUAXGTAFMGZ-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=CC(=C(C=C1)OC)CSCC2=C(C=CC(=C2)C(=O)C)OC
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Other Names Ethanone, 1,1'-{thiobis[methylene(4-methoxy-3,1-phenylene)]}bis-

In Other Databases

PubChem 2804278
ChEMBL CHEMBL1875234
ChemSpider 2082831