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

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

ID: Reference11556

Other Names: NAT31-457555

Formula: C16H18F3N3

Spectral Data

2-[(3S)-1-Cyclobutyl-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 447
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 7/12/2022 7:46:52 AM
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Identificators

InChI InChI=1S/C16H18F3N3/c17-16(18,19)11-4-5-13-14(8-11)21-15(20-13)10-6-7-22(9-10)12-2-1-3-12/h4-5,8,10,12H,1-3,6-7,9H2,(H,20,21)/t10-/m0/s1
InChI Key HBZILFFEIWXJOS-JTQLQIEISA-N
Canonical SMILES C1CC(C1)N2CCC(C2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F
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Other Names NAT31-457555

In Other Databases

ChemSpider 29850075
ChEMBL CHEMBL3437380
PubChem 45784261