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2-Methyl-4-vinylnona-2,7-dien-5-yn-4-ol
SpectraBase Compound ID q3gR7tPo51
InChI InChI=1S/C12H16O/c1-5-7-8-9-12(13,6-2)10-11(3)4/h5-7,10,13H,2H2,1,3-4H3
InChIKey PKDIORSZWAZUDZ-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iormsr1YbkN
Name 2-Methyl-4-vinylnona-2,7-dien-5-yn-4-ol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-5-7-8-9-12(13,6-2)10-11(3)4/h5-7,10,13H,2H2,1,3-4H3
InChIKey PKDIORSZWAZUDZ-UHFFFAOYSA-N
Instrument Name Agilent HP 6890 or Waters Autospec Premier sprctrometer magnetic sector
Ionization Type EI
Literature Reference DOI 10.1002/anie.201908496
Molecular Weight 176.259 g/mol
Reported Formula C12H16O
SMILES OC(C=C(C)C)(C#CC=CC)C=C
SPLASH splash10-07fu-2900000000-8b9588280d7a8eb01115
Source of Spectrum ACI-58-SM33-SI-4
Thin-Layer Chromatography Rf = 0.17 (petroleum ether/Et2O, 80:20)
Wiley ID 1875572