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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F8ahYxylKF
Name 2H-Pyran-2-one, 3-acetyl-4-hydroxy-6-methyl-
Alternate Name(s) 3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one 3-Acetyl-2-hydroxy-6-methyl-4H-pyran-4-one 3-Acetyl-2-hydroxy-6-methylpyran-4-one 2-Hydroxy-3-acetyl-6-methyl-4-pyrone 3-Acetyl-4-hydroxy-6-methylpyran-2-one 3-Acetyl-6-methyl-4-hydroxypyran-2-one 3-Acetyl-2-hydroxy-6-methyl-pyran-4-one 3-Acetyl-4-hydroxy-6-methyl-pyran-2-one 3-Acetyl-4-hydroxy-6-methyl-2-pyranone 3-Ethanoyl-6-methyl-4-oxidanyl-pyran-2-one
CAS Registry Number 771-03-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 168.148 g/mol
SMILES OC=1C=C(C)OC(=O)C1C(C)=O
SPLASH splash10-014l-9600000000-f8eecd121e504aecef9a
Wiley ID 1492552