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(+)-(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PAHR3kGAcu
Name (+)-(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)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H22O
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
Literature Reference Author D.HELMLINGER,G.FRATER
Literature Reference Citation HELV.CHIM.ACTA,72,1515(1989)
Literature Reference DOI 10.1002/hlca.19890720713
Molecular Weight 206.328 g/mol
Solvent CDCl3
Source File Reference UWED6038