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2,6-dimethyl-4H-pyran-4-one
SpectraBase Compound ID DafekGLqXhh
InChI InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChIKey VSYFZULSKMFUJJ-UHFFFAOYSA-N
Mol Weight 124.14 g/mol
Molecular Formula C7H8O2
Exact Mass 124.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck07aUCsShB
Name 4H-Pyran-4-one, 2,6-dimethyl-
CAS Registry Number 1004-36-0
Comments Edited after expert review for air contamination - Original record with SpectrumID 1128735 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O2
InChI InChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
InChIKey VSYFZULSKMFUJJ-UHFFFAOYSA-N
Molecular Weight 124.139 g/mol
SMILES CC=1OC(=CC(C1)=O)C
SPLASH splash10-0006-9000000000-906ff30b8c06d0db0ef2
Source of Spectrum EP-4108-0-0
Synonyms .gamma.-2,6-Dimethylpyrone 2,6-Dimethyl-.gamma.-pyrone 2,6-Dimethyl-4-pyranone 2,6-Dimethyl-4-pyrone 2,6-Dimethyl-4H-pyran-4-one 2,6-Dimethyl-4H-pyran-4o-one 2,6-Dimethyl-g-pyrone 2,6-Dimethyl-gamma-pyrone 2,6-Dimethylpyran-4-one gamma-2,6-Dimethylpyrone AI3-05951 BRN 0107418 CCRIS 3601 EINECS 213-719-1 NSC 48105 NSC 8735
Wiley ID 1820959