2-[(3S)-1-Isopropyl-3-pyrrolidinyl]-5-(trifluoromethyl)-1H-benzimidazole

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Systematic / IUPAC Name: 2-[(3S)-1-Propan-2-ylpyrrolidin-3-yl]-6-(trifluoromethyl)-1H-benzimidazole

ID: Reference11005

Other Names: NAT31-457588

Formula: C15H18F3N3

Spectral Data

2-[(3S)-1-Isopropyl-3-pyrrolidinyl]-5-(trifluoromethyl)-1H-benzimidazole 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 1
No. of Spectra 999
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2021 11:35:18 AM
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Identificators

InChI InChI=1S/C15H18F3N3/c1-9(2)21-6-5-10(8-21)14-19-12-4-3-11(15(16,17)18)7-13(12)20-14/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,19,20)/t10-/m0/s1
InChI Key PENGICADZKDUAF-JTQLQIEISA-N
Canonical SMILES CC(C)N1CCC(C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F
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Other Names NAT31-457588

In Other Databases

PubChem 45784275
ChemSpider 29850092
ChEMBL CHEMBL3437327