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Ethyl 4-(p-tolylethynyl)benzoate

View entire compound with spectra: 2 MS (GC)

Ethyl 4-(p-tolylethynyl)benzoate
SpectraBase Compound ID KYl3Czspf5p
InChI InChI=1S/C18H16O2/c1-3-20-18(19)17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,10-13H,3H2,1-2H3
InChIKey WJBBNBBVWASSEL-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C18H16O2
Exact Mass 264.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AatQqQoL4Nf
Name Ethyl 4-(p-tolylethynyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O2
InChI InChI=1S/C18H16O2/c1-3-20-18(19)17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,10-13H,3H2,1-2H3
InChIKey WJBBNBBVWASSEL-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC02583D
Molecular Weight 264.324 g/mol
SMILES C(c1ccc(cc1)C#Cc1ccc(cc1)C)(=O)OCC
SPLASH splash10-02ti-0390000000-fe103eb0ff10628afeea
Source of Spectrum CSS-7-89/SM7-3ab
Wiley ID 1801091