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1-Ethynylhexyl acetate

View entire compound with spectra: 1 MS (GC)

1-Ethynylhexyl acetate
SpectraBase Compound ID CTPPVar3g6
InChI InChI=1S/C10H16O2/c1-4-6-7-8-10(5-2)12-9(3)11/h2,10H,4,6-8H2,1,3H3
InChIKey IKEZOEYIWYOVCD-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqbPkGoGbqG
Name 1-Ethynylhexyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-4-6-7-8-10(5-2)12-9(3)11/h2,10H,4,6-8H2,1,3H3
InChIKey IKEZOEYIWYOVCD-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES C(C)(=O)OC(C#C)CCCCC
SPLASH splash10-0006-9000000000-d3d6b2911f699c52147e
Source of Spectrum K1-2004-3452-6
Synonyms Acetic acid 1-amylprop-2-ynyl ester Acetic acid oct-1-yn-3-yl ester Oct-1-yn-3-yl acetate Oct-1-yn-3-yl ethanoate
Wiley ID 1561327