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4-(4-Ethylphenyl)-2-methylbut-3-yn-2-ol
SpectraBase Compound ID BadHDFtcGeQ
InChI InChI=1S/C13H16O/c1-4-11-5-7-12(8-6-11)9-10-13(2,3)14/h5-8,14H,4H2,1-3H3
InChIKey XZEVXCJEVGOAFV-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQTqBZLvU77
Name 4-(4-Ethylphenyl)-2-methylbut-3-yn-2-ol
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-4-11-5-7-12(8-6-11)9-10-13(2,3)14/h5-8,14H,4H2,1-3H3
InChIKey XZEVXCJEVGOAFV-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973/Thermo 1300GC-ISQ 7046
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00333
Molecular Weight 188.270 g/mol
SMILES OC(C#Cc1ccc(CC)cc1)(C)C
SPLASH splash10-006x-9800000000-671707a4c12b2f681a10
Source of Spectrum JOC-86-7088-11
Thin-Layer Chromatography Rf = 0.3 (hexane/AcOEt, 10:1)
Wiley ID 1867695