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(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

Near Infrared (NIR) Spectrum

Near Infrared (NIR) Spectrum

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SpectraBase Spectrum ID LRgq7MejaN3
Name 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
Comments Window Material: QI
Copyright Copyright © 1989, 1990-2024 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/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N
Instrument Name INSTRUMENT PARAMETERS=INST=BRUKER,RSN=6066,REO=2,CNM=HEI,ZFF=2
Purity 96%
Sample Description STATE=NEAT, LIQUID
Source of Spectrum Prof. Buback, University of Goettingen, Germany
Technique NIR Spectrometer= BRUKER IFS 88