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

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

ID: Reference11856

Other Names: NAT31-456899

Formula: C19H18N2O3

Spectral Data

4-{[(3S)-3-(1,3-Benzoxazol-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 965
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2022 11:26:07 AM
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Identificators

InChI InChI=1S/C19H18N2O3/c22-19(23)14-7-5-13(6-8-14)11-21-10-9-15(12-21)18-20-16-3-1-2-4-17(16)24-18/h1-8,15H,9-12H2,(H,22,23)/t15-/m0/s1
InChI Key BYIMNHQLXPOGQV-HNNXBMFYSA-N
Canonical SMILES C1CN(CC1C2=NC3=CC=CC=C3O2)CC4=CC=C(C=C4)C(=O)O
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Other Names NAT31-456899

In Other Databases

ChemSpider 29849948
PubChem 51137055