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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeCW7F2O8Sf
Name .beta.-ionone
Copyright Copyright © 2020-2024 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
Instrument Name Trace ISQ-LT
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202100694
Molecular Weight 192.302 g/mol
SMILES C1CCC(C)=C(\C=C\C(C)=O)C1(C)C
SPLASH splash10-004l-3900000000-1bd5e96322f0e3f62b66
Source of Spectrum CBD-19-5-A
Wiley ID 1873168