2-Bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl 4-methylbenzenesulfonate

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Systematic / IUPAC Name: 2-Bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl 4-methylbenzenesulfonate

ID: Reference4854

Other Names: 2-Bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl 4-methylbenzene-1-sulfonate;
Phenol, 2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-, 4-methylbenzenesulfonate

Formula: C17H17BrO4S3

Spectral Data

2-Bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl 4-methylbenzenesulfonate 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 133
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/13/2016 11:11:38 AM
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Identificators

InChI InChI=1S/C17H17BrO4S3/c1-11-3-5-13(6-4-11)25(19,20)22-16-14(18)9-12(10-15(16)21-2)17-23-7-8-24-17/h3-6,9-10,17H,7-8H2,1-2H3
InChI Key QQRUHTNSJZVPNA-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C3SCCS3)OC
CAS
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Other Names 2-Bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl 4-methylbenzene-1-sulfonate;
Phenol, 2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-, 4-methylbenzenesulfonate

In Other Databases

ChemSpider 2078442
PubChem 2799704