Ethyl 4-(tetrahydro-1H-pyrrol-1-ylcarbothioyl)benzoate

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Systematic / IUPAC Name: Ethyl 4-(pyrrolidine-1-carbothioyl)benzoate

ID: Reference8719

Other Names: Benzoic acid, 4-(1-pyrrolidinylthioxomethyl)-, ethyl ester

Formula: C14H17NO2S

Spectral Data

Ethyl 4-(tetrahydro-1H-pyrrol-1-ylcarbothioyl)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 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2019 11:55:01 AM
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Identificators

InChI InChI=1S/C14H17NO2S/c1-2-17-14(16)12-7-5-11(6-8-12)13(18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3
InChI Key SPRCHGQNEBTYGT-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=CC=C(C=C1)C(=S)N2CCCC2
CAS
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Other Names Benzoic acid, 4-(1-pyrrolidinylthioxomethyl)-, ethyl ester

In Other Databases

PubChem 2801573
ChEMBL CHEMBL1381769
ChemSpider 2080277