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(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

View entire compound with spectra: 32 NMR, 12 FTIR, 2 Raman, 39 MS (GC), and 2 Near IR

(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID 4yPnJHEWQos
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7zHL5kFbzPw
Name alpha-Ionone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number I12409
CAS Registry Number 127-41-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChIKey UZFLPKAIBPNNCA-BQYQJAHWSA-N
Observed nucleus 1H
Purity TECH., 90%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Ionone 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one
Wiley ID SIAL_1HNMR_012028