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3-oxo-4 beta-thujonecarboxylic acid, methyl ester
SpectraBase Compound ID 9HRBoEusKBl
InChI InChI=1S/C12H18O3/c1-7(2)12-5-8(12)11(3,9(13)6-12)10(14)15-4/h7-8H,5-6H2,1-4H3/t8-,11-,12+/m0/s1
InChIKey LZLXTURAGMMICX-KPXOXKRLSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FTKpXrKd8i
Name 3-OXO-4beta-THUJANECARBOXYLIC ACID, METHYL ESTER
Source of Sample C. H. Brieskorn, University of Wuerzburg, Wuerzburg, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-7(2)12-5-8(12)11(3,9(13)6-12)10(14)15-4/h7-8H,5-6H2,1-4H3/t8-,11-,12+/m0/s1
InChIKey LZLXTURAGMMICX-KPXOXKRLSA-N
Literature Reference CHEM. BER. 114, 1993(1981) Abstract-Chemical Abstracts= 95, 115758(1981)
Molecular Weight 210.272995
Synonyms 4B-THUJANECARBOXYLIC ACID, 3-OXO-, METHYL ESTER
Technique CAPILLARY CELL: NEAT