4-{[(2S,4R)-4-Hydroxy-2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid

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Systematic / IUPAC Name: 4-[[(2S,4R)-4-Hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid

ID: Reference9749

Other Names: Benzoic acid, 4-[[(2S,4R)-4-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-381914

Formula: C21H18F3N3O5

Spectral Data

4-{[(2S,4R)-4-Hydroxy-2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid 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 2
No. of Spectra 3651
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2020 8:18:40 AM
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Identificators

InChI InChI=1S/C21H18F3N3O5/c22-21(23,24)31-16-7-5-13(6-8-16)18-25-19(32-26-18)17-9-15(28)11-27(17)10-12-1-3-14(4-2-12)20(29)30/h1-8,15,17,28H,9-11H2,(H,29,30)/t15-,17+/m1/s1
InChI Key JCAUKNIZMJDYBG-WBVHZDCISA-N
Canonical SMILES C1C(CN(C1C2=NC(=NO2)C3=CC=C(C=C3)OC(F)(F)F)CC4=CC=C(C=C4)C(=O)O)O
CAS
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Other Names Benzoic acid, 4-[[(2S,4R)-4-hydroxy-2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-pyrrolidinyl]methyl]-;
NAT18-381914

In Other Databases

ChemSpider 21386797
PubChem 26744513