2-[(3S)-1-(4-Chlorobenzyl)-3-pyrrolidinyl]-5-fluoro-1,3-benzoxazole

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Systematic / IUPAC Name: 2-[(3S)-1-[(4-Chlorophenyl)methyl]pyrrolidin-3-yl]-5-fluoro-1,3-benzoxazole

ID: Reference10987

Other Names: NAT31-458142

Formula: C18H16ClFN2O

Spectral Data

2-[(3S)-1-(4-Chlorobenzyl)-3-pyrrolidinyl]-5-fluoro-1,3-benzoxazole 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 577
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/28/2021 6:21:29 PM
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Identificators

InChI InChI=1S/C18H16ClFN2O/c19-14-3-1-12(2-4-14)10-22-8-7-13(11-22)18-21-16-9-15(20)5-6-17(16)23-18/h1-6,9,13H,7-8,10-11H2/t13-/m0/s1
InChI Key PJMKCPOXLPKRES-ZDUSSCGKSA-N
Canonical SMILES C1CN(CC1C2=NC3=C(O2)C=CC(=C3)F)CC4=CC=C(C=C4)Cl
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Other Names NAT31-458142

In Other Databases

PubChem 45784338
ChemSpider 29850170