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3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, butyl ester

View entire compound with spectra: 4 NMR, 4 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, butyl ester
SpectraBase Compound ID IXyA3By6rUr
InChI InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3
InChIKey OKIJSNGRQAOIGZ-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoFfifNXlbU
Name 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-2H-PYRAN-6-CARBOXYLIC ACID, BUTYL ESTER
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3
InChIKey OKIJSNGRQAOIGZ-UHFFFAOYSA-N
Molecular Weight 226.27
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms INDALONE 2H-PYRAN-6-CARBOXYLIC ACID, 3,4-DIHYDRO-2,2-DIMETHYL-4-OXO-, BUTYL ESTER