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(4E)-4,5-bis(t-Butyl)-2,2,8,8,-tetramethyl-4-nonen-6-yn-3-one
SpectraBase Compound ID GkEoV0UAuOQ
InChI InChI=1S/C21H36O/c1-18(2,3)14-13-15(19(4,5)6)16(20(7,8)9)17(22)21(10,11)12/h1-12H3/b16-15+
InChIKey KHDQWPAZRFSDPW-FOCLMDBBSA-N
Mol Weight 304.5 g/mol
Molecular Formula C21H36O
Exact Mass 304.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IzGH0YxdV9
Name (4E)-4,5-bis(t-Butyl)-2,2,8,8,-tetramethyl-4-nonen-6-yn-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O
InChI InChI=1S/C21H36O/c1-18(2,3)14-13-15(19(4,5)6)16(20(7,8)9)17(22)21(10,11)12/h1-12H3/b16-15+
InChIKey KHDQWPAZRFSDPW-FOCLMDBBSA-N
Molecular Weight 304.518 g/mol
SMILES C(\C(=C\(C(C(C)(C)C)=O)C(C)(C)C)C(C)(C)C)#CC(C)(C)C
SPLASH splash10-0aov-7090000000-dedf705b9cb23eb839ce
Source of Spectrum U-1995-157-9
Synonyms (4E)-4,5-ditert-butyl-2,2,8,8-tetramethyl-4-nonen-6-yn-3-one
Wiley ID 766565