(3R,5S)-5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylsulfonyl)benzyl]-3-pyrrolidinol

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

ID: Reference12476

Other Names: NAT18-382950

Formula: C21H21ClFN3O4S

Spectral Data

(3R,5S)-5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylsulfonyl)benzyl]-3-pyrrolidinol 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 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 8:35:45 AM
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Identificators

InChI InChI=1S/C21H21ClFN3O4S/c1-31(28,29)17-6-2-13(3-7-17)11-26-12-16(27)10-19(26)21-24-20(25-30-21)8-14-4-5-15(23)9-18(14)22/h2-7,9,16,19,27H,8,10-12H2,1H3/t16-,19+/m1/s1
InChI Key FWTLTBUNUUQBEM-APWZRJJASA-N
Canonical SMILES CS(=O)(=O)C1=CC=C(C=C1)CN2CC(CC2C3=NC(=NO3)CC4=C(C=C(C=C4)F)Cl)O
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Other Names NAT18-382950

In Other Databases

ChemSpider 21386884
PubChem 26744624