5-Chloro-2-[(3S)-1-(4-fluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole

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

ID: Reference9603

Other Names: Benzoxazole, 5-chloro-2-[(3S)-1-[(4-fluorophenyl)methyl]-3-pyrrolidinyl]-;
NAT31-456676

Formula: C18H16ClFN2O

Spectral Data

5-Chloro-2-[(3S)-1-(4-fluorobenzyl)-3-pyrrolidinyl]-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 552
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2020 12:24:30 PM
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Identificators

InChI InChI=1S/C18H16ClFN2O/c19-14-3-6-17-16(9-14)21-18(23-17)13-7-8-22(11-13)10-12-1-4-15(20)5-2-12/h1-6,9,13H,7-8,10-11H2/t13-/m0/s1
InChI Key FHERDDJXPCXICG-ZDUSSCGKSA-N
Canonical SMILES C1CN(CC1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC=C(C=C4)F
CAS
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Other Names Benzoxazole, 5-chloro-2-[(3S)-1-[(4-fluorophenyl)methyl]-3-pyrrolidinyl]-;
NAT31-456676

In Other Databases

ChemSpider 29849909
PubChem 45784175