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3-Acetoxypentadeca-1,4-trans,8-trans,10-trans-tetraen-6-yn-12-one
SpectraBase Compound ID 2gWzWlcbD2f
InChI InChI=1S/C17H20O3/c1-4-12-16(19)13-10-8-6-7-9-11-14-17(5-2)20-15(3)18/h5-6,8,10-11,13-14,17H,2,4,12H2,1,3H3/b8-6+,13-10+,14-11+
InChIKey KRZKWTXOLFYPBW-MKPHSFAVSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHCCJ9yRxBY
Name 3-Acetoxypentadeca-1,4-trans,8-trans,10-trans-tetraen-6-yn-12-one
Alternate Name(s) (4E,8E,10E)-12-oxopentadeca-1,4,8,10-tetraen-6-yn-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-4-12-16(19)13-10-8-6-7-9-11-14-17(5-2)20-15(3)18/h5-6,8,10-11,13-14,17H,2,4,12H2,1,3H3/b8-6+,13-10+,14-11+
InChIKey KRZKWTXOLFYPBW-MKPHSFAVSA-N
Literature Reference DOI 10.1002/cber.19751080808
Molecular Weight 272.344 g/mol
SMILES C=CC(OC(=O)C)\C=C\C#C\C=C\C=C\C(CCC)=O
SPLASH splash10-0006-9110000000-a06eb10aae8351cb0d13
Source of Spectrum K-108-2546-10
Wiley ID 1794004