Ethyl 2-{[(4,5-dibromo-2-hydroxyphenyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Systematic / IUPAC Name: Ethyl 2-[(E)-(4,5-dibromo-2-hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ID: Reference6806

Other Names: Benzo[b]thiophene-3-carboxylic acid, 2-{[(1E)-(4,5-dibromo-2-hydroxyphenyl)methylene]amino}-4,5,6,7-tetrahydro-, ethyl ester

Formula: C18H17Br2NO3S

Spectral Data

Ethyl 2-{[(4,5-dibromo-2-hydroxyphenyl)methylene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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 9/11/2017 2:17:10 PM
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Identificators

InChI InChI=1S/C18H17Br2NO3S/c1-2-24-18(23)16-11-5-3-4-6-15(11)25-17(16)21-9-10-7-12(19)13(20)8-14(10)22/h7-9,22H,2-6H2,1H3/b21-9+
InChI Key GGBRXCNVQHIVCL-ZVBGSRNCSA-N
Canonical SMILES CCOC(=O)c1c2c(sc1/N=C/c3cc(c(cc3O)Br)Br)CCCC2
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Other Names Benzo[b]thiophene-3-carboxylic acid, 2-{[(1E)-(4,5-dibromo-2-hydroxyphenyl)methylene]amino}-4,5,6,7-tetrahydro-, ethyl ester

In Other Databases

ChemSpider 18017196
PubChem 6800360