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

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

ID: Reference10470

Other Names: NAT31-456663

Formula: C19H17ClN2O3

Spectral Data

4-{[(3S)-3-(5-Chloro-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 2
No. of Spectra 2177
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/21/2021 7:08:51 AM
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Identificators

InChI InChI=1S/C19H17ClN2O3/c20-15-5-6-17-16(9-15)21-18(25-17)14-7-8-22(11-14)10-12-1-3-13(4-2-12)19(23)24/h1-6,9,14H,7-8,10-11H2,(H,23,24)/t14-/m0/s1
InChI Key IZNJXKXIOBQSHA-AWEZNQCLSA-N
Canonical SMILES C1CN(CC1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC=C(C=C4)C(=O)O
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Other Names NAT31-456663

In Other Databases

ChemSpider 29849903
PubChem 45784171