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5-Methyl-3-phenyl-2,1-benzisoxazole
SpectraBase Compound ID JBsIKqaOAO
InChI InChI=1S/C14H11NO/c1-10-7-8-13-12(9-10)14(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey OMFBJMSLUFWYJP-UHFFFAOYSA-N
Mol Weight 209.25 g/mol
Molecular Formula C14H11NO
Exact Mass 209.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlrQ78xbKqP
Name 5-Methyl-3-phenyl-2,1-benzisoxazole
CAS Registry Number 114623-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO
InChI InChI=1S/C14H11NO/c1-10-7-8-13-12(9-10)14(16-15-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey OMFBJMSLUFWYJP-UHFFFAOYSA-N
Molecular Weight 209.248 g/mol
SMILES Cc1ccc2c(c1)c(-c1ccccc1)on2
SPLASH splash10-0a4i-3590000000-dbbc814436024eb55b79
Source of Spectrum O-24-72-0
Synonyms 3-Phenyl-5-methyl-2,1-benzisoxazole 5-Methyl-3-phenyl-2,1-benzoxazole 5-Methyl-3-phenyl-anthranil
Wiley ID 1208327