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1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-CARBONSAEUREETHYLESTER

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1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-CARBONSAEUREETHYLESTER
SpectraBase Compound ID JEZBfuz3Mlc
InChI InChI=1S/C10H12O3/c1-3-13-9(12)10(2)6-4-8(11)5-7-10/h4-7H,3H2,1-2H3
InChIKey IIMMQDLVQXHQBC-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9keQ34Dl3ua
Name 1-METHYL-4-OXO-2,5-CYCLOHEXADIENE-1-CARBOXYLIC ACID, ETHYL ESTER
Source of Sample W. Gramlich Liebigs Ann. Chem. 1979, 121
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-3-13-9(12)10(2)6-4-8(11)5-7-10/h4-7H,3H2,1-2H3
InChIKey IIMMQDLVQXHQBC-UHFFFAOYSA-N
Molecular Weight 180.21
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20
Synonyms 2,5-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 1-METHYL-4-OXO-, ETHYL ESTER