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

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

ID: Reference10364

Other Names: Benzoic acid, 4-[[(3S)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl]methyl]-;
NAT31-459568

Formula: C21H21N3O4

Spectral Data

4-({(3S)-3-[5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-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 1
No. of Spectra 1066
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/9/2021 1:52:26 PM
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Identificators

InChI InChI=1S/C21H21N3O4/c1-27-18-5-3-2-4-17(18)20-23-22-19(28-20)16-10-11-24(13-16)12-14-6-8-15(9-7-14)21(25)26/h2-9,16H,10-13H2,1H3,(H,25,26)/t16-/m0/s1
InChI Key FMLJLNNNINBPFN-INIZCTEOSA-N
Canonical SMILES COC1=CC=CC=C1C2=NN=C(O2)C3CCN(C3)CC4=CC=C(C=C4)C(=O)O
CAS
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Other Names Benzoic acid, 4-[[(3S)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl]methyl]-;
NAT31-459568

In Other Databases

PubChem 51137450
ChemSpider 29850451