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5-Cyanomethyl-3-(4'-chlorophenyl)isoxazole
SpectraBase Compound ID 4ExgbnVZvAx
InChI InChI=1S/C11H7ClN2O/c12-9-3-1-8(2-4-9)11-7-10(5-6-13)15-14-11/h1-4,7H,5H2
InChIKey XNVZTDUUDWCXSE-UHFFFAOYSA-N
Mol Weight 218.64 g/mol
Molecular Formula C11H7ClN2O
Exact Mass 218.024691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Rykq6dS0l
Name 5-Cyanomethyl-3-(4'-chlorophenyl)isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7ClN2O
InChI InChI=1S/C11H7ClN2O/c12-9-3-1-8(2-4-9)11-7-10(5-6-13)15-14-11/h1-4,7H,5H2
InChIKey XNVZTDUUDWCXSE-UHFFFAOYSA-N
Molecular Weight 218.643 g/mol
SMILES c1(noc(c1)CC#N)-c1ccc(cc1)Cl
SPLASH splash10-00or-0930000000-c417e95ae90ed0a6ff54
Source of Spectrum Y1-36-876-13
Synonyms 5-Cyanomethyl-3-(4'-chlorophenyl)isoxazole-2-one [3-(4-chlorophenyl)-5-isoxazolyl]acetonitrile
Wiley ID 1527141