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3-(2-(2,3-Dimethylbut-1-en-1-yl)phenyl)prop-2-yn-1-ol
SpectraBase Compound ID Figr0m1gCqb
InChI InChI=1S/C15H18O/c1-12(2)13(3)11-15-8-5-4-7-14(15)9-6-10-16/h4-5,7-8,11-12,16H,10H2,1-3H3
InChIKey RCOWHAWTEHCUCV-UHFFFAOYSA-N
Mol Weight 214.31 g/mol
Molecular Formula C15H18O
Exact Mass 214.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hz5wVS1Ue
Name 3-(2-(2,3-Dimethylbut-1-en-1-yl)phenyl)prop-2-yn-1-ol
Appearance Yellow oil
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Exact Mass 214.135765199 u
Formula C15H18O
GC Column HP-5MS
InChI InChI=1S/C15H18O/c1-12(2)13(3)11-15-8-5-4-7-14(15)9-6-10-16/h4-5,7-8,11-12,16H,10H2,1-3H3
InChIKey RCOWHAWTEHCUCV-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405789
Molecular Weight 214.308 g/mol
Quality 45
SMILES OCC#CC=1C=CC=CC1C=C(C(C)C)C
SPLASH splash10-00fr-0900000000-4f7e0f25483f9cb672ed
Sample Comments Major isomer, dr = ~3:1
Source of Spectrum QE-21-SM14-14h (DOI: 10.1002/chem.201405789)
Thin-Layer Chromatography 0.46 (hexane/EtOAc, 2:1)
Wiley ID 1907682