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

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

ID: Reference10983

Other Names: NAT31-456699

Formula: C19H19ClN2O

Spectral Data

5-Chloro-2-[(3S)-1-(2-methylbenzyl)-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 560
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/28/2021 5:55:45 PM
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Identificators

InChI InChI=1S/C19H19ClN2O/c1-13-4-2-3-5-14(13)11-22-9-8-15(12-22)19-21-17-10-16(20)6-7-18(17)23-19/h2-7,10,15H,8-9,11-12H2,1H3/t15-/m0/s1
InChI Key SDVNRIFTLSJSDA-HNNXBMFYSA-N
Canonical SMILES CC1=CC=CC=C1CN2CCC(C2)C3=NC4=C(O3)C=CC(=C4)Cl
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Other Names NAT31-456699

In Other Databases

ChemSpider 29849916
PubChem 45784180