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3-Methyl-4-vinylnona-2,7-dien-5-yn-4-ol
SpectraBase Compound ID EHhhflYmTNS
InChI InChI=1S/C12H16O/c1-5-8-9-10-12(13,7-3)11(4)6-2/h5-8,13H,3H2,1-2,4H3
InChIKey ZIEXPAKYBIFLKB-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 hRLYjcHyK
Name 3-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/c1-5-8-9-10-12(13,7-3)11(4)6-2/h5-8,13H,3H2,1-2,4H3
InChIKey ZIEXPAKYBIFLKB-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)=CC)(C#CC=CC)C=C
SPLASH splash10-06vl-3900000000-3160ffa22d682ff679ec
Source of Spectrum ACI-58-SM27-20
Thin-Layer Chromatography Rf = 0.15 (petroleum ether/Et2O, 90:10)
Wiley ID 1875559