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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 52m15ugBSy
Name Ethyl-4-(p-tolylethynyl)benzoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.115029753 u
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
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200359
Molecular Weight 264.324 g/mol
SMILES C(C=1C=CC(C)=CC1)#CC=1C=CC(=CC1)C(OCC)=O
SPLASH splash10-02ti-0190000000-d19ed39ba5b6b554a64e
Source of Spectrum K1-2022-4-1g (DOI: 10.1002/ejoc.202200359)
Thin-Layer Chromatography 0.6 (Ethyl acetate/petroleum ether, 1:10)
Wiley ID 1898638