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(S)-(-)-Pentacos-10-yn-9-yl acetate
SpectraBase Compound ID 8lJzX5ZxLqt
InChI InChI=1S/C27H50O2/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-27(29-26(3)28)24-22-20-11-9-7-5-2/h27H,4-22,24H2,1-3H3/t27-/m0/s1
InChIKey WWHZLUOVZCZIEF-MHZLTWQESA-N
Mol Weight 406.7 g/mol
Molecular Formula C27H50O2
Exact Mass 406.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PBfd8I3FWx
Name (S)-(-)-Pentacos-10-yn-9-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H50O2
InChI InChI=1S/C27H50O2/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-25-27(29-26(3)28)24-22-20-11-9-7-5-2/h27H,4-22,24H2,1-3H3/t27-/m0/s1
InChIKey WWHZLUOVZCZIEF-MHZLTWQESA-N
Molecular Weight 406.695 g/mol
SMILES C(#CCCCCCCCCCCCCCC)[C@@](OC(=O)C)(CCCCCCCC)[H]
SPLASH splash10-00di-0491000000-773feed497eac8fc8f46
Source of Spectrum F-68-3748-24
Synonyms (1S)-1-octyl-2-heptadecynyl acetate Acetic acid [(9S)-pentacos-10-yn-9-yl] ester [(9S)-pentacos-10-yn-9-yl] acetate [(1S)-1-octylheptadec-2-ynyl] acetate [(9S)-pentacos-10-yn-9-yl] ethanoate
Wiley ID 1572529