1-[(3S)-3-(5-Fluoro-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]ethanone

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Systematic / IUPAC Name: 1-[(3S)-3-(5-Fluoro-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]ethanone

ID: Reference9601

Other Names: Ethanone, 1-[(3S)-3-(5-fluoro-2-benzoxazolyl)-1-pyrrolidinyl]-;
NAT31-456022

Formula: C13H13FN2O2

Spectral Data

1-[(3S)-3-(5-Fluoro-1,3-benzoxazol-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 451
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2020 12:23:34 PM
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Identificators

InChI InChI=1S/C13H13FN2O2/c1-8(17)16-5-4-9(7-16)13-15-11-6-10(14)2-3-12(11)18-13/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1
InChI Key LNSFQZLHHAZUBU-VIFPVBQESA-N
Canonical SMILES CC(=O)N1CCC(C1)C2=NC3=C(O2)C=CC(=C3)F
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Other Names Ethanone, 1-[(3S)-3-(5-fluoro-2-benzoxazolyl)-1-pyrrolidinyl]-;
NAT31-456022

In Other Databases

ChEMBL CHEMBL3436798
ChemSpider 29849881
PubChem 51137034