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p-Tolyl Propiolate
SpectraBase Compound ID 2qCGL3OvsBa
InChI InChI=1S/C10H8O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKey VIIUTNWLVPOHCH-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C10H8O2
Exact Mass 160.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPcUOzZPiXO
Name p-Tolyl Propiolate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O2
InChI InChI=1S/C10H8O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChIKey VIIUTNWLVPOHCH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02011
Molecular Weight 160.172 g/mol
Reported Formula C10H8O2
SMILES c1cc(ccc1OC(=O)C#C)C
SPLASH splash10-0a4i-1900000000-91b9d37c1060462c1487
Source of Spectrum JOC-86-188-74
Thin-Layer Chromatography Rf = 0.5 (diethyl ether/hexane, 1:4)
Wiley ID 1854950