4-{[(3S)-3-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl]methyl}benzoic acid

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Systematic / IUPAC Name: 4-[[(3S)-3-(1H-Benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid

ID: Reference9628

Other Names: Benzoic acid, 4-[[(3S)-3-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl]-;
NAT31-457253

Formula: C19H19N3O2

Spectral Data

4-{[(3S)-3-(1H-Benzimidazol-2-yl)-1-pyrrolidinyl]methyl}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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 1705
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2020 5:47:48 AM
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Identificators

InChI InChI=1S/C19H19N3O2/c23-19(24)14-7-5-13(6-8-14)11-22-10-9-15(12-22)18-20-16-3-1-2-4-17(16)21-18/h1-8,15H,9-12H2,(H,20,21)(H,23,24)/t15-/m0/s1
InChI Key FTBHRAUDIDGKNY-HNNXBMFYSA-N
Canonical SMILES C1CN(CC1C2=NC3=CC=CC=C3N2)CC4=CC=C(C=C4)C(=O)O
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Other Names Benzoic acid, 4-[[(3S)-3-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]methyl]-;
NAT31-457253

In Other Databases

PubChem 45784245
ChemSpider 29850044