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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jYz5TWKw5V
Name 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
CAS Registry Number 6901-97-9
Comments REASSIGNED (A.H. & L.E.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian HA-100
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3