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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)

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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 HxUa9g1VVZT
Name TRANS-ALPHA-IRONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name SEE COMMENT
Literature Reference T.SAKS, T.PEHK, H.RANG, A.IVANOV (1978) Izv.Akad.Nauk Estonii,Khim.(Russ.Lang.): v.27, N4, 230-234.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent NEAT