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Ethyl 4-(5-cyanopent-1-yn-1-yl)benzoate
SpectraBase Compound ID 5NFgriMe6lN
InChI InChI=1S/C15H15NO2/c1-2-18-15(17)14-10-8-13(9-11-14)7-5-3-4-6-12-16/h8-11H,2-4,6H2,1H3
InChIKey XMHIPXHJELJFNS-UHFFFAOYSA-N
Mol Weight 241.29 g/mol
Molecular Formula C15H15NO2
Exact Mass 241.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkJbOcCV6Se
Name Ethyl 4-(5-cyanopent-1-yn-1-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO2
InChI InChI=1S/C15H15NO2/c1-2-18-15(17)14-10-8-13(9-11-14)7-5-3-4-6-12-16/h8-11H,2-4,6H2,1H3
InChIKey XMHIPXHJELJFNS-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 241.290 g/mol
SMILES C(c1ccc(cc1)C#CCCCC#N)(=O)OCC
SPLASH splash10-0002-0910000000-5fae16d53bed09a1f869
Source of Spectrum CSS-7-89/SM14-3lb
Wiley ID 1801105