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5-(tert-Butyl)-6-ethyl-5-hydroxyoct-3-yn-2-one
SpectraBase Compound ID LjvkCRdCFR6
InChI InChI=1S/C14H24O2/c1-7-12(8-2)14(16,13(4,5)6)10-9-11(3)15/h12,16H,7-8H2,1-6H3
InChIKey ZQJQEDLXSKPHEL-UHFFFAOYSA-N
Mol Weight 224.34 g/mol
Molecular Formula C14H24O2
Exact Mass 224.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KHIRkUOYxT
Name 5-(tert-Butyl)-6-ethyl-5-hydroxyoct-3-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O2
InChI InChI=1S/C14H24O2/c1-7-12(8-2)14(16,13(4,5)6)10-9-11(3)15/h12,16H,7-8H2,1-6H3
InChIKey ZQJQEDLXSKPHEL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.201400071
Molecular Weight 224.344 g/mol
SMILES OC(C#CC(=O)C)(C(CC)CC)C(C)(C)C
SPLASH splash10-00ku-4900000000-07d5e5c9e17569560c1c
Source of Spectrum CBD-11-1593-81
Synonyms (S)-5-(tert-butyl)-6-ethyl-5-hydroxyoct-3-yn-2-one
Wiley ID 1771278