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3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione

View entire compound with spectra: 27 NMR, and 2 MS (GC)

3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione
SpectraBase Compound ID B81TERUD4r3
InChI InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3
InChIKey PKLPQOJFHFGVBS-UHFFFAOYSA-N
Mol Weight 168.15 g/mol
Molecular Formula C8H8O4
Exact Mass 168.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HROMaYjrVsK
Name 3-Acetyl-4-hydroxy-6-methyl-2-pyranone
CAS Registry Number 771-03-9
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H8O4
InChI InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3
InChIKey PKLPQOJFHFGVBS-UHFFFAOYSA-N
Instrument Name Bruker HX-270
Literature Reference S.F. Tan, K.P. Ang, H.L. Jayachandran, J. Chem. Soc. Perkin II 513 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3