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3-Buten-2-one, 4-[1-hydroxy-2,2,6-trimethyl-6-[(trimethylsilyl)oxy]cyclohexyl]-, [1S-[1.alpha.,1(E),6.beta.]]-
SpectraBase Compound ID 8oElj9mOo8Q
InChI InChI=1S/C16H30O3Si/c1-13(17)9-12-16(18)14(2,3)10-8-11-15(16,4)19-20(5,6)7/h9,12,18H,8,10-11H2,1-7H3/b12-9+/t15-,16+/m1/s1
InChIKey KSMNZJBMPHULJR-NKRQLWMJSA-N
Mol Weight 298.5 g/mol
Molecular Formula C16H30O3Si
Exact Mass 298.196421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYeScGgI0Ga
Name 3-Buten-2-one, 4-[1-hydroxy-2,2,6-trimethyl-6-[(trimethylsilyl)oxy]cyclohexyl]-, [1S-[1.alpha.,1(E),6.beta.]]-
CAS Registry Number 81757-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O3Si
InChI InChI=1S/C16H30O3Si/c1-13(17)9-12-16(18)14(2,3)10-8-11-15(16,4)19-20(5,6)7/h9,12,18H,8,10-11H2,1-7H3/b12-9+/t15-,16+/m1/s1
InChIKey KSMNZJBMPHULJR-NKRQLWMJSA-N
Molecular Weight 298.498 g/mol
SMILES O[C@@]1([C@](O[Si](C)(C)C)(CCCC1(C)C)C)\C=C\C(=O)C
SPLASH splash10-0596-8910000000-5f67221771cf94008143
Source of Spectrum H-65-358-0
Synonyms (+)-(5S,6S)-6-Hydroxy-5-trimethylsilyloxy-5,6-dihydro-.beta.-ionone (3E)-4-{(1S,6R)-1-hydroxy-2,2,6-trimethyl-6-[(trimethylsilyl)oxy]cyclohexyl}-3-buten-2-one
Wiley ID 1300907