3-{[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile

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Systematic / IUPAC Name: 3-[[(3S)-3-(1,3-Benzoxazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile

ID: Reference8815

Other Names: Benzonitrile, 3-[[(3S)-3-(2-benzoxazolyl)-1-pyrrolidinyl]methyl]-;
NAT31-456904

Formula: C19H17N3O

Spectral Data

3-{[(3S)-3-(1,3-Benzoxazol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 872
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 8/5/2019 7:32:18 AM
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Identificators

InChI InChI=1S/C19H17N3O/c20-11-14-4-3-5-15(10-14)12-22-9-8-16(13-22)19-21-17-6-1-2-7-18(17)23-19/h1-7,10,16H,8-9,12-13H2/t16-/m0/s1
InChI Key AKLOQEFNNYMAQO-INIZCTEOSA-N
Canonical SMILES C1CN(CC1C2=NC3=CC=CC=C3O2)CC4=CC(=CC=C4)C#N
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Other Names Benzonitrile, 3-[[(3S)-3-(2-benzoxazolyl)-1-pyrrolidinyl]methyl]-;
NAT31-456904

In Other Databases

ChemSpider 29849950
PubChem 51137057