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4-[3-(4-cyanophenyl)-2-oxiranyl]benzonitrile
SpectraBase Compound ID FIFluX5e1M2
InChI InChI=1S/C16H10N2O/c17-9-11-1-5-13(6-2-11)15-16(19-15)14-7-3-12(10-18)4-8-14/h1-8,15-16H
InChIKey YEMJHBWHZALWPH-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C16H10N2O
Exact Mass 246.079313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjtBzYN0eWo
Name 4-[3-(4-cyanophenyl)-2-oxiranyl]benzonitrile
Alternate Name(s) 4-[3-(4-cyanophenyl)oxiran-2-yl]benzenecarbonitrile 4-[3-(4-cyanophenyl)oxiran-2-yl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N2O
InChI InChI=1S/C16H10N2O/c17-9-11-1-5-13(6-2-11)15-16(19-15)14-7-3-12(10-18)4-8-14/h1-8,15-16H
InChIKey YEMJHBWHZALWPH-UHFFFAOYSA-N
Molecular Weight 246.269 g/mol
SMILES C1(OC1c1ccc(C#N)cc1)c1ccc(C#N)cc1
SPLASH splash10-0uds-0910000000-3b246d81374ea86daad1
Source of Spectrum AJ-76-2159-11
Wiley ID 1577363