Ethyl 4-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)benzoate

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Systematic / IUPAC Name: Ethyl 4-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)benzoate

ID: Reference5273

Other Names: Benzoic acid, 4-(2,3-dihydro-2-thioxo-1H-benzimidazol-1-yl)-, ethyl ester

Formula: C16H14N2O2S

Spectral Data

Ethyl 4-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/26/2016 8:08:43 AM
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Identificators

InChI InChI=1S/C16H14N2O2S/c1-2-20-15(19)11-7-9-12(10-8-11)18-14-6-4-3-5-13(14)17-16(18)21/h3-10H,2H2,1H3,(H,17,21)
InChI Key LKLKMJUQNDXMTH-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S
CAS
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Other Names Benzoic acid, 4-(2,3-dihydro-2-thioxo-1H-benzimidazol-1-yl)-, ethyl ester

In Other Databases

ChemSpider 2019865
PubChem 2738240