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5-Cyanomethyl-3-phenylisoxazole
SpectraBase Compound ID 84cN4NCC9Kw
InChI InChI=1S/C11H8N2O/c12-7-6-10-8-11(13-14-10)9-4-2-1-3-5-9/h1-5,8H,6H2
InChIKey UPJIQZTTYXDTIF-UHFFFAOYSA-N
Mol Weight 184.2 g/mol
Molecular Formula C11H8N2O
Exact Mass 184.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LY9sGHlYIYm
Name 5-Cyanomethyl-3-phenylisoxazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O
InChI InChI=1S/C11H8N2O/c12-7-6-10-8-11(13-14-10)9-4-2-1-3-5-9/h1-5,8H,6H2
InChIKey UPJIQZTTYXDTIF-UHFFFAOYSA-N
Molecular Weight 184.198 g/mol
SMILES c1(noc(c1)CC#N)-c1ccccc1
SPLASH splash10-0006-2900000000-bdf6428451c57d225de5
Source of Spectrum Y1-36-876-12
Synonyms (3-phenyl-5-isoxazolyl)acetonitrile 5-Cyanomethyl-3-phenylisoxazole-2-one 2-(3-phenyl-5-isoxazolyl)acetonitrile 2-(3-phenyl-1,2-oxazol-5-yl)acetonitrile 2-(3-phenyl-1,2-oxazol-5-yl)ethanenitrile
Wiley ID 1527142