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4H-Pyran-4-one, 3-hydroxy-5-methyl-
SpectraBase Compound ID 52umLbAfZJQ
InChI InChI=1S/C6H6O3/c1-4-2-9-3-5(7)6(4)8/h2-3,7H,1H3
InChIKey IWKXXMBGUWZVMK-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 HDgUZuJNZUb
Name 4H-Pyran-4-one, 3-hydroxy-5-methyl-
Alternate Name(s) 3-Hydroxy-5-methyl-4-pyranone 3-Hydroxy-5-methyl-pyran-4-one 3-Methyl-5-oxidanyl-pyran-4-one
CAS Registry Number 42508-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O3
InChI InChI=1S/C6H6O3/c1-4-2-9-3-5(7)6(4)8/h2-3,7H,1H3
InChIKey IWKXXMBGUWZVMK-UHFFFAOYSA-N
Molecular Weight 126.111 g/mol
SMILES OC=1C(C(=COC1)C)=O
SPLASH splash10-004l-9400000000-e8cbdc7d46990a40759b
Source of Spectrum SB-32-6-0
Wiley ID 1129702