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

View entire compound with spectra: 109 NMR, 9 FTIR, 2 Raman, 37 MS (GC), and 2 Near IR

(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID GVOQh94tj8u
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 88VfAQutrxz
Name beta-Ionone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number I12603
CAS Registry Number 14901-07-6
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/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N
Observed nucleus 13C
Purity 96%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms beta-Ionone 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
Wiley ID SIAL_13CNMR_012116