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5-Cyanomethyl-3-(4'-methoxyphenyl)isoxazole
SpectraBase Compound ID YDgsMBgvY6
InChI InChI=1S/C12H10N2O2/c1-15-10-4-2-9(3-5-10)12-8-11(6-7-13)16-14-12/h2-5,8H,6H2,1H3
InChIKey XZVAZUBUBCOAMC-UHFFFAOYSA-N
Mol Weight 214.22 g/mol
Molecular Formula C12H10N2O2
Exact Mass 214.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zCsNKtxnRe
Name 5-Cyanomethyl-3-(4'-methoxyphenyl)isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O2
InChI InChI=1S/C12H10N2O2/c1-15-10-4-2-9(3-5-10)12-8-11(6-7-13)16-14-12/h2-5,8H,6H2,1H3
InChIKey XZVAZUBUBCOAMC-UHFFFAOYSA-N
Molecular Weight 214.224 g/mol
SMILES c1(noc(c1)CC#N)-c1ccc(cc1)OC
SPLASH splash10-022a-0950000000-d173a0af89c88ed92b29
Source of Spectrum Y1-36-876-14
Synonyms 5-Cyanomethyl-3-(4'-methoxyphenyl)isoxazole-2-one [3-(4-methoxyphenyl)-5-isoxazolyl]acetonitrile 2-[3-(4-methoxyphenyl)-5-isoxazolyl]acetonitrile 2-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetonitrile 2-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanenitrile
Wiley ID 1527140