John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4A4psuZqbEC SpectraBase Spectrum ID=1K97c6BJsGs

(accessed ).
2-(4-acety-2,5-dimethylbenzyl)-1,3-cyclohexanedione
SpectraBase Compound ID 4A4psuZqbEC
InChI InChI=1S/2C17H20O3/c2*1-10-8-14(12(3)18)11(2)7-13(10)9-15-16(19)5-4-6-17(15)20/h7-8,19H,4-6,9H2,1-3H3;7-8,15H,4-6,9H2,1-3H3
InChIKey MQWWYENJIGSCJO-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1K97c6BJsGs
Name 2-(4-ACETYL-2,5-DIMETHYLBENZYL)-1,3-CYCLOHEXANEDIONE
Source of Sample J. Correa, Universidad Iberoamericana, Mexico
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/2C17H20O3/c2*1-10-8-14(12(3)18)11(2)7-13(10)9-15-16(19)5-4-6-17(15)20/h7-8,19H,4-6,9H2,1-3H3;7-8,15H,4-6,9H2,1-3H3
InChIKey MQWWYENJIGSCJO-UHFFFAOYSA-N
Literature Reference JOCE 34, 2192(1969)
Melting Point 183C
Molecular Weight 272.344000
SpectraBase Batch ID 2R7xuenVNlq
Synonyms 2-CYCLOHEXEN-1-ONE, 2-/4-ACETYL-2,5- DIMETHYLBENZYL/-3-HYDROXY-, 1,3-CYCLOHEXANEDIONE, 2-/4-ACETYL-2,5- DIMETHYLBENZYL/-,
Technique KBr WAFER