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4-Cyanobenzyl 4-cyanobenzoate
SpectraBase Compound ID HekCp2XY0R3
InChI InChI=1S/C16H10N2O2/c17-9-12-1-3-14(4-2-12)11-20-16(19)15-7-5-13(10-18)6-8-15/h1-8H,11H2
InChIKey XEZHBXTUHJERGG-UHFFFAOYSA-N
Mol Weight 262.27 g/mol
Molecular Formula C16H10N2O2
Exact Mass 262.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWuktv7fSdE
Name 4-Cyanobenzyl 4-cyanobenzoate
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10N2O2
InChI InChI=1S/C16H10N2O2/c17-9-12-1-3-14(4-2-12)11-20-16(19)15-7-5-13(10-18)6-8-15/h1-8H,11H2
InChIKey XEZHBXTUHJERGG-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202011039
Molecular Weight 262.268 g/mol
SMILES C(#N)c1ccc(cc1)COC(c1ccc(cc1)C#N)=O
SPLASH splash10-0f89-0930000000-6ec6992ebc439fa52218
Source of Spectrum ACI-60-SM26-25
Wiley ID 1880498