5-Chloro-2-[(3S)-1-(2-pyridinylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole

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Systematic / IUPAC Name: 5-Chloro-2-[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole

ID: Reference10980

Other Names: NAT31-456692

Formula: C17H16ClN3O

Spectral Data

5-Chloro-2-[(3S)-1-(2-pyridinylmethyl)-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 598
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/28/2021 5:50:37 PM
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Identificators

InChI InChI=1S/C17H16ClN3O/c18-13-4-5-16-15(9-13)20-17(22-16)12-6-8-21(10-12)11-14-3-1-2-7-19-14/h1-5,7,9,12H,6,8,10-11H2/t12-/m0/s1
InChI Key MBMKVWWCKUCZAT-LBPRGKRZSA-N
Canonical SMILES C1CN(CC1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=N4
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Other Names NAT31-456692

In Other Databases

ChemSpider 29849913
PubChem 45784178