2-[(3S)-1-(2-Nitrobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole

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Systematic / IUPAC Name: 2-[(3S)-1-[(2-Nitrophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole

ID: Reference12197

Other Names: NAT31-456941

Formula: C18H17N3O3

Spectral Data

2-[(3S)-1-(2-Nitrobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole 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 959
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/1/2023 4:17:07 PM
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Identificators

InChI InChI=1S/C18H17N3O3/c22-21(23)16-7-3-1-5-13(16)11-20-10-9-14(12-20)18-19-15-6-2-4-8-17(15)24-18/h1-8,14H,9-12H2/t14-/m0/s1
InChI Key ZTRLJWKKWVSSMJ-AWEZNQCLSA-N
Canonical SMILES C1CN(CC1C2=NC3=CC=CC=C3O2)CC4=CC=CC=C4[N+](=O)[O-]
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Other Names NAT31-456941

In Other Databases

PubChem 45784207
ChemSpider 29849967