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

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

ID: Reference12225

Other Names: NAT31-473151

Formula: C21H22N2O4

Spectral Data

Methyl 2-[(3S)-1-(3-methoxybenzyl)-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 1073
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 2:22:17 PM
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Identificators

InChI InChI=1S/C21H22N2O4/c1-25-16-6-3-5-14(11-16)12-23-10-9-15(13-23)20-22-18-8-4-7-17(19(18)27-20)21(24)26-2/h3-8,11,15H,9-10,12-13H2,1-2H3/t15-/m0/s1
InChI Key TYEJTJPQZLTUNL-HNNXBMFYSA-N
Canonical SMILES COC1=CC=CC(=C1)CN2CCC(C2)C3=NC4=CC=CC(=C4O3)C(=O)OC
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Other Names NAT31-473151

In Other Databases

PubChem 45784354
ChemSpider 29850855