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1,4-Hexadien-3-one, 1-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, [1.alpha.(E,E),5.beta.]-
SpectraBase Compound ID D8hsiYguLG5
InChI InChI=1S/C16H24O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h6-8,10-11,13,15H,9H2,1-5H3/b7-6+,11-10+/t13-,15-/m0/s1
InChIKey HWVMHZGSMTYDCS-VRUGOOMQSA-N
Mol Weight 232.37 g/mol
Molecular Formula C16H24O
Exact Mass 232.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GGtAsEI0xm
Name 1,4-Hexadien-3-one, 1-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, [1.alpha.(E,E),5.beta.]-
CAS Registry Number 106249-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O
InChI InChI=1S/C16H24O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h6-8,10-11,13,15H,9H2,1-5H3/b7-6+,11-10+/t13-,15-/m0/s1
InChIKey HWVMHZGSMTYDCS-VRUGOOMQSA-N
Molecular Weight 232.367 g/mol
SMILES [C@@]1(C([C@@](C)(CC=C1C)[H])(C)C)(\C=C\C(\C=C\C)=O)[H]
SPLASH splash10-00ke-7900000000-820d1c4d52e42f6db854
Source of Spectrum H-68-1973-74
Synonyms (1E,4E)-1-(trans-2,5,6,6-tetramethyl-2-cyclohexenyl)-1,4-hexadien-3-on (1E,4E)-1-[(1S,5S)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl]-1,4-hexadien-3-one
Wiley ID 1234401