Ethyl 2-{[(3-chlorobenzo[b]thiophen-2-yl)carbonyl]thio}acetate

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Systematic / IUPAC Name: Ethyl {[(3-chloro-1-benzothiophen-2-yl)carbonyl]sulfanyl}acetate

ID: Reference3988

Other Names: Acetic acid, 2-{[(3-chlorobenzo[b]thien-2-yl)carbonyl]thio}-, ethyl ester

Formula: C13H11ClO3S2

Spectral Data

Ethyl 2-{[(3-chlorobenzo[b]thiophen-2-yl)carbonyl]thio}acetate 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 2/27/2016 10:17:39 AM
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Identificators

InChI InChI=1S/C13H11ClO3S2/c1-2-17-10(15)7-18-13(16)12-11(14)8-5-3-4-6-9(8)19-12/h3-6H,2,7H2,1H3
InChI Key GMHDQSOHZADPKQ-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CSC(=O)C1=C(C2=CC=CC=C2S1)Cl
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Other Names Acetic acid, 2-{[(3-chlorobenzo[b]thien-2-yl)carbonyl]thio}-, ethyl ester

In Other Databases

ChemSpider 2075419
PubChem 2796569