2-[(3S)-1-(4-Methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole-5-carbonitrile

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Systematic / IUPAC Name: 2-[(3S)-1-[(4-Methylphenyl)methyl]pyrrolidin-3-yl]-3H-benzimidazole-5-carbonitrile

ID: Reference12530

Other Names: NAT31-457762

Formula: C20H20N4

Spectral Data

2-[(3S)-1-(4-Methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole-5-carbonitrile 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 265
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2023 10:40:03 AM
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Identificators

InChI InChI=1S/C20H20N4/c1-14-2-4-15(5-3-14)12-24-9-8-17(13-24)20-22-18-7-6-16(11-21)10-19(18)23-20/h2-7,10,17H,8-9,12-13H2,1H3,(H,22,23)/t17-/m0/s1
InChI Key ZEFNHPNTSGBRON-KRWDZBQOSA-N
Canonical SMILES CC1=CC=C(C=C1)CN2CCC(C2)C3=NC4=C(N3)C=C(C=C4)C#N
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Other Names NAT31-457762

In Other Databases

PubChem 45784326
ChemSpider 29850143