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

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

ID: Reference12253

Other Names: NAT31-456766

Formula: C21H20N2O2

Spectral Data

2-[(3S)-1-(1-Benzofuran-2-ylmethyl)-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 580
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/14/2023 9:49:33 AM
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Identificators

InChI InChI=1S/C21H20N2O2/c1-14-6-7-20-18(10-14)22-21(25-20)16-8-9-23(12-16)13-17-11-15-4-2-3-5-19(15)24-17/h2-7,10-11,16H,8-9,12-13H2,1H3/t16-/m0/s1
InChI Key JTBIVRRHMMNHNR-INIZCTEOSA-N
Canonical SMILES CC1=CC2=C(C=C1)OC(=N2)C3CCN(C3)CC4=CC5=CC=CC=C5O4
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Other Names NAT31-456766

In Other Databases

PubChem 45784201
ChemSpider 29849942