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3-Acetoxypentadeca-4-trans,8-trans,10-trans-trien-6-yn-12-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Acetoxypentadeca-4-trans,8-trans,10-trans-trien-6-yn-12-one
SpectraBase Compound ID IGnCyKYb1HQ
InChI InChI=1S/C17H22O3/c1-4-12-16(19)13-10-8-6-7-9-11-14-17(5-2)20-15(3)18/h6,8,10-11,13-14,17H,4-5,12H2,1-3H3/b8-6+,13-10+,14-11+
InChIKey LZOMFRMNEOJEHP-MKPHSFAVSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKiFXYbQThQ
Name 3-Acetoxypentadeca-4-trans,8-trans,10-trans-trien-6-yn-12-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.156894565 u
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-4-12-16(19)13-10-8-6-7-9-11-14-17(5-2)20-15(3)18/h6,8,10-11,13-14,17H,4-5,12H2,1-3H3/b8-6+,13-10+,14-11+
InChIKey LZOMFRMNEOJEHP-MKPHSFAVSA-N
Molecular Weight 274.360 g/mol
SMILES CCC(OC(=O)C)\C=C\C#C\C=C\C=C\C(CCC)=O