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

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Systematic / IUPAC Name: 5-Methyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]-1,3-benzoxazole

ID: Reference11150

Other Names: NAT31-456742

Formula: C16H22N2O

Spectral Data

2-[(3S)-1-Isobutyl-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 985
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2022 2:50:50 PM
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Identificators

InChI InChI=1S/C16H22N2O/c1-11(2)9-18-7-6-13(10-18)16-17-14-8-12(3)4-5-15(14)19-16/h4-5,8,11,13H,6-7,9-10H2,1-3H3/t13-/m0/s1
InChI Key MWHROXCUEMHIAV-ZDUSSCGKSA-N
Canonical SMILES CC1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC(C)C
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Other Names NAT31-456742

In Other Databases

PubChem 45784192
ChemSpider 29849932