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2-{(1,1'-Biphenyl)-4-ylethynyl}benzoxazole
SpectraBase Compound ID 3QvVC3V0vvR
InChI InChI=1S/C21H13NO/c1-2-6-17(7-3-1)18-13-10-16(11-14-18)12-15-21-22-19-8-4-5-9-20(19)23-21/h1-11,13-14H
InChIKey PRWMDFJQHJCSGF-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C21H13NO
Exact Mass 295.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnFbPmb9qXq
Name 2-{(1,1'-Biphenyl)-4-ylethynyl}benzoxazole
Alternate Name(s) 2-([1,1'-biphenyl]-4-ylethynyl)benzo[d]oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13NO
InChI InChI=1S/C21H13NO/c1-2-6-17(7-3-1)18-13-10-16(11-14-18)12-15-21-22-19-8-4-5-9-20(19)23-21/h1-11,13-14H
InChIKey PRWMDFJQHJCSGF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol300514d
Molecular Weight 295.341 g/mol
SMILES c1ccc2oc(nc2c1)C#Cc1ccc(cc1)-c1ccccc1
SPLASH splash10-0002-0090000000-3cd9c934c48c86e9b193
Source of Spectrum A1-14-1824/SMS6-3c
Wiley ID 1750170