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1,6-Heptadien-4-yn-3-ol
SpectraBase Compound ID AU2ui0cpf5f
InChI InChI=1S/C7H8O/c1-3-5-6-7(8)4-2/h3-4,7-8H,1-2H2
InChIKey XARQPRWUWOTJJQ-UHFFFAOYSA-N
Mol Weight 108.14 g/mol
Molecular Formula C7H8O
Exact Mass 108.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5YnETQbjfj
Name 1,6-Heptadien-4-yn-3-ol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O
InChI InChI=1S/C7H8O/c1-3-5-6-7(8)4-2/h3-4,7-8H,1-2H2
InChIKey XARQPRWUWOTJJQ-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 108.140 g/mol
Reported Formula C7H8O
SMILES OC(C=C)C#CC=C
SPLASH splash10-004i-9000000000-b9e0100f5237d3117350
Source of Spectrum ACI-58-SM16-6
Thin-Layer Chromatography Rf = 0.21 (petroleum ether/Et2O, 80:20)
Wiley ID 1875565