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

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

ID: Reference9534

Other Names: Benzoic acid, 4-[[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl]methyl]-;
NAT31-459627

Formula: C21H21N3O4

Spectral Data

4-({(3S)-3-[5-(4-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 1693
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2020 5:02:13 PM
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Identificators

InChI InChI=1S/C21H21N3O4/c1-27-18-8-6-15(7-9-18)19-22-23-20(28-19)17-10-11-24(13-17)12-14-2-4-16(5-3-14)21(25)26/h2-9,17H,10-13H2,1H3,(H,25,26)/t17-/m0/s1
InChI Key CJDHLNDYFHTOJU-KRWDZBQOSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=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-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl]methyl]-;
NAT31-459627

In Other Databases

PubChem 51137485
ChemSpider 29850484