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3-hydroxy-6-methyl-4H-pyran-4-one
SpectraBase Compound ID 8H8ypP8sbsr
InChI InChI=1S/C6H6O3/c1-4-2-5(7)6(8)3-9-4/h2-3,8H,1H3
InChIKey IQXWFHDFTAZGNB-UHFFFAOYSA-N
Mol Weight 126.11 g/mol
Molecular Formula C6H6O3
Exact Mass 126.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjWez1vlW97
Name Allomaltol
CAS Registry Number 644-46-2
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O3
InChI InChI=1S/C6H6O3/c1-4-2-5(7)6(8)3-9-4/h2-3,8H,1H3
InChIKey IQXWFHDFTAZGNB-UHFFFAOYSA-N
Molecular Weight 126.111 g/mol
SMILES OC=1C(=O)C=C(C)OC1
SPLASH splash10-004l-9300000000-227f1a5ef9c3579678b8
Source of Spectrum TA-0-850-0
Synonyms 4H-Pyran-4-one, 5-hydroxy-2-methyl- 5-Hydroxy-2-methyl-4-pyrone 5-Hydroxy-2-methyl-.gamma.-pyrone 5-Hydroxy-2-methyl-4H-pyran-4-one 2-Methyl-5-oxidanyl-pyran-4-one 5-Hydroxy-2-methyl-4-pyranone 5-Hydroxy-2-methyl-|A-pyrone Kojic acid, .alpha.-deoxy- 5-Hydroxy-2-methylpyran-4-one 5-Hydroxy-2-methyl-pyran-4-one 2-Methyl-5-hydroxy-1,4-pyrone 2-Methyl-5-hydroxy-(4H)-pyran-4-one
Wiley ID 4737