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4-methyl-3-thujanone
SpectraBase Compound ID FO1g4ncsIiS
InChI InChI=1S/C11H18O/c1-7(2)11-5-8(11)10(3,4)9(12)6-11/h7-8H,5-6H2,1-4H3
InChIKey GVLKANPTYNHFPR-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DisOfllASnr
Name 4-METHYL-3-THUJANONE
Source of Sample C. H. Brieskorn, University of Wuerzburg, Wuerzburg, Germany
Boiling Point 88-90C/17mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-7(2)11-5-8(11)10(3,4)9(12)6-11/h7-8H,5-6H2,1-4H3
InChIKey GVLKANPTYNHFPR-UHFFFAOYSA-N
Literature Reference CHEM. BER. 114, 1993(1981) Abstract-Chemical Abstracts= 95, 115758(1981)
Molecular Weight 166.264008
Optical Properties Index of Refraction= (20C) 1.4477 Optical Rotation= (20C) -19.9 DEG (c=3.7, CHLOROFORM)
Synonyms 3-THUJANONE, 4-METHYL-,
Technique CAPILLARY CELL: NEAT