Methyl 2-[(3,4-dimethoxybenzyl)sulfonyl]benzoate

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Systematic / IUPAC Name: Methyl 2-[(3,4-dimethoxybenzyl)sulfonyl]benzoate

ID: Reference6746

Other Names: Benzoic acid, 2-{[(3,4-dimethoxyphenyl)methyl]sulfonyl}-, methyl ester

Formula: C17H18O6S

Spectral Data

Methyl 2-[(3,4-dimethoxybenzyl)sulfonyl]benzoate 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/18/2017 11:55:38 AM
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Identificators

InChI InChI=1S/C17H18O6S/c1-21-14-9-8-12(10-15(14)22-2)11-24(19,20)16-7-5-4-6-13(16)17(18)23-3/h4-10H,11H2,1-3H3
InChI Key KNQMGQNYOHOJHH-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C=C1)CS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC
CAS
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Other Names Benzoic acid, 2-{[(3,4-dimethoxyphenyl)methyl]sulfonyl}-, methyl ester

In Other Databases

PubChem 2817402
ChemSpider 2095706