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2-Ethyl-5-hydroxy-3,6-dimethyl-pyran-4-one

View entire compound with spectra: 2 MS (GC)

2-Ethyl-5-hydroxy-3,6-dimethyl-pyran-4-one
SpectraBase Compound ID BZAYW5WTP3N
InChI InChI=1S/C9H12O3/c1-4-7-5(2)8(10)9(11)6(3)12-7/h11H,4H2,1-3H3
InChIKey FINFZXPAHSEFEE-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APT8YXP4O10
Name 2-Ethyl-5-hydroxy-3,6-dimethyl-pyran-4-one
Alternate Name(s) 2-Ethyl-5-hydroxy-3,6-dimethyl-4H-pyran-4-one
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-4-7-5(2)8(10)9(11)6(3)12-7/h11H,4H2,1-3H3
InChIKey FINFZXPAHSEFEE-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES OC1=C(OC(CC)=C(C)C1=O)C
SPLASH splash10-004l-9800000000-75420249c21ed71f4a06
Wiley ID 1487303