Methyl 2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole-7-carboxylate

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Systematic / IUPAC Name: Methyl 2-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole-7-carboxylate

ID: Reference9680

Other Names: NAT31-473164

Formula: C21H22N2O3

Spectral Data

Methyl 2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole-7-carboxylate 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 1757
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2020 12:18:38 PM
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Identificators

InChI InChI=1S/C21H22N2O3/c1-14-6-3-4-7-15(14)12-23-11-10-16(13-23)20-22-18-9-5-8-17(19(18)26-20)21(24)25-2/h3-9,16H,10-13H2,1-2H3/t16-/m0/s1
InChI Key QLYHJIMSFRMHCH-INIZCTEOSA-N
Canonical SMILES CC1=CC=CC=C1CN2CCC(C2)C3=NC4=CC=CC(=C4O3)C(=O)OC
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Other Names NAT31-473164

In Other Databases

ChEMBL CHEMBL3437326
PubChem 45784358
ChemSpider 29850859