John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1HWwNQIEt9A

(accessed ).
(+)-(1'S,5'S,3E)-4-(2',5',6',6'-TETRAMETHYLCYCLOHEX-2'-EN-1'-YL)-BUT-3-EN-2-ONE;((+)-(2S,6S)-TRANS-ALPHA-IRONE)
SpectraBase Compound ID 1HWwNQIEt9A
InChI InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m1/s1
InChIKey JZQOJFLIJNRDHK-UULPFXLMSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol
Enantiomer InChIKey JZQOJFLIJNRDHK-SXDPYWSBSA-N
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Solvent NEAT
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PR-333-0-0
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum H-76-2082-0
  • (E)-4-[(1R,5R)-2,5,6,6-tetramethyl-1-cyclohex-2-enyl]-3-buten-2-one
  • TRANS-ALPHA-IRONE
Title Journal or Book Year
Synthesis of(+)-(2S, 6S)-trans-α-Irone and of(-)-(2S, 6S)-trans-γ-Irone Helvetica Chimica Acta 1989
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