1-{(3S)-3-[5-(Trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyrrolidinyl}ethanone

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Systematic / IUPAC Name: 1-[(3S)-3-[6-(Trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone

ID: Reference11004

Other Names: NAT31-455032

Formula: C14H14F3N3O

Spectral Data

1-{(3S)-3-[5-(Trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyrrolidinyl}ethanone 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 728
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2021 11:21:14 AM
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Identificators

InChI InChI=1S/C14H14F3N3O/c1-8(21)20-5-4-9(7-20)13-18-11-3-2-10(14(15,16)17)6-12(11)19-13/h2-3,6,9H,4-5,7H2,1H3,(H,18,19)/t9-/m0/s1
InChI Key NALCUEZMFHIUEH-VIFPVBQESA-N
Canonical SMILES CC(=O)N1CCC(C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F
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Other Names NAT31-455032

In Other Databases

ChemSpider 29849851
PubChem 45784059