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3-Phenyl-5-(phenylethynyl)-2,1-benzisoxazole
SpectraBase Compound ID XCDGJt7EAo
InChI InChI=1S/C21H13NO/c1-3-7-16(8-4-1)11-12-17-13-14-20-19(15-17)21(23-22-20)18-9-5-2-6-10-18/h1-10,13-15H
InChIKey HUTUQHZMEWMGAD-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 44cwl0oJr6J
Name 3-Phenyl-5-(phenylethynyl)-2,1-benzisoxazole
Alternate Name(s) 3-Phenyl-5-(2-phenylethynyl)-2,1-benzoxazole 3-Phenyl-5-(2-phenylethynyl)anthranil 3-Phenyl-5-(phenylethynyl)anthranil
CAS Registry Number 170378-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13NO
InChI InChI=1S/C21H13NO/c1-3-7-16(8-4-1)11-12-17-13-14-20-19(15-17)21(23-22-20)18-9-5-2-6-10-18/h1-10,13-15H
InChIKey HUTUQHZMEWMGAD-UHFFFAOYSA-N
Molecular Weight 295.341 g/mol
SMILES c1c(cc2c(c1)noc2-c1ccccc1)C#Cc1ccccc1
SPLASH splash10-0002-5390000000-34db9da83fb24918ecb9
Wiley ID 1467383