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4 beta-(hydroxymethyl)-3-thujanone
SpectraBase Compound ID 1LqAHWxM69e
InChI InChI=1S/C11H18O2/c1-7(2)11-4-8(11)10(3,6-12)9(13)5-11/h7-8,12H,4-6H2,1-3H3/t8-,10-,11+/s2
InChIKey FMCMDEDOQJOCFX-RLXAYYKLSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID bqUPoUeSdd
Name 4beta-(HYDROXYMETHYL)-3-THUJANONE
Source of Sample C. H. Brieskorn, University of Wuerzburg, Wuerzburg, Germany
Boiling Point 86C/0.1mm
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-7(2)11-4-8(11)10(3,6-12)9(13)5-11/h7-8,12H,4-6H2,1-3H3/t8-,10-,11+/s2
InChIKey FMCMDEDOQJOCFX-RLXAYYKLSA-N
Literature Reference CHEM. BER. 114, 1993(1981) Abstract-Chemical Abstracts= 95, 115758(1981)
Molecular Weight 182.263000
Optical Properties Index of Refraction= (20C) 1.4736 Optical Rotation= (20C) -35.8 DEG (c=5, CHLOROFORM)
Synonyms 3-THUJANONE, 4B-/HYDROXYMETHYL/-,
Technique CAPILLARY CELL: NEAT