2-Morpholino-5-(1H-pyrrol-1-yl)benzoic acid

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Systematic / IUPAC Name: 2-(4-Morpholinyl)-5-(1H-pyrrol-1-yl)benzoic acid

ID: Reference6490

Other Names: 2-Morpholino-5-pyrrol-1-yl-benzoic acid;
Benzoic acid, 2-(4-morpholinyl)-5-(1H-pyrrol-1-yl)-

Formula: C15H16N2O3

Spectral Data

2-Morpholino-5-(1H-pyrrol-1-yl)benzoic 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/21/2017 7:47:39 AM
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Identificators

InChI InChI=1S/C15H16N2O3/c18-15(19)13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-20-10-8-17/h1-6,11H,7-10H2,(H,18,19)
InChI Key ANQJKFVOUAXTCA-UHFFFAOYSA-N
Canonical SMILES C1COCCN1C2=C(C=C(C=C2)N3C=CC=C3)C(=O)O
CAS
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Other Names 2-Morpholino-5-pyrrol-1-yl-benzoic acid;
Benzoic acid, 2-(4-morpholinyl)-5-(1H-pyrrol-1-yl)-

In Other Databases

ChEMBL CHEMBL1307487
ChemSpider 2092687
PubChem 2814298