2,5-Dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylic acid

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Systematic / IUPAC Name: 2,5-Dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylic acid

ID: Reference7096

Other Names: 1H-Pyrrole-3-carboxylicacid, 2,5-dimethyl-1-(2-thienylmethyl)-;
2,5-Dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid;
2,5-Dimethyl-1-(thien-2-ylmethyl)-1H-pyrrole-3-carboxylic acid;
2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxylic acid;
2,5-Dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid

Formula: C12H13NO2S

Spectral Data

2,5-Dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylic acid 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 156
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/28/2017 9:23:45 AM
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Identificators

InChI InChI=1S/C12H13NO2S/c1-8-6-11(12(14)15)9(2)13(8)7-10-4-3-5-16-10/h3-6H,7H2,1-2H3,(H,14,15)
InChI Key MYRBXKXOHIDTFU-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)O
CAS 306936141
Splash
Other Names 1H-Pyrrole-3-carboxylicacid, 2,5-dimethyl-1-(2-thienylmethyl)-;
2,5-Dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid;
2,5-Dimethyl-1-(thien-2-ylmethyl)-1H-pyrrole-3-carboxylic acid;
2,5-Dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carboxylic acid;
2,5-Dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid;
2,5-Dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid

In Other Databases

PubChem 2736309
ChemSpider 2017980