2-[(3S)-1-Benzyl-3-pyrrolidinyl]-5-methyl-1,3-benzoxazole

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

ID: Reference11152

Other Names: NAT31-456719

Formula: C19H20N2O

Spectral Data

2-[(3S)-1-Benzyl-3-pyrrolidinyl]-5-methyl-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 853
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2022 2:56:28 PM
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Identificators

InChI InChI=1S/C19H20N2O/c1-14-7-8-18-17(11-14)20-19(22-18)16-9-10-21(13-16)12-15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m0/s1
InChI Key QRMYJEWQDHXKPM-INIZCTEOSA-N
Canonical SMILES CC1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CC=CC=C4
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Other Names NAT31-456719

In Other Databases

PubChem 45784182
ChemSpider 29849919
ChEMBL CHEMBL3436911