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acetic acid (4-keto-2-methyl-pyran-3-yl) ester
SpectraBase Compound ID EFIl6edIWHc
InChI InChI=1S/C8H8O4/c1-5-8(12-6(2)9)7(10)3-4-11-5/h3-4H,1-2H3
InChIKey NRQULFRLDJKNGP-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 3RblF0ZDsFO
Name (2-methyl-4-oxidanylidene-pyran-3-yl) ethanoate
Alternate Name(s) (2-methyl-4-oxo-pyran-3-yl) acetate 2-Methyl-4-oxo-4H-pyran-3-yl acetate Acetic acid (2-methyl-4-oxo-3-pyranyl) ester Acetic acid (4-keto-2-methyl-pyran-3-yl) ester
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Formula C8H8O4
InChI InChI=1S/C8H8O4/c1-5-8(12-6(2)9)7(10)3-4-11-5/h3-4H,1-2H3
InChIKey NRQULFRLDJKNGP-UHFFFAOYSA-N
Molecular Weight 168.148 g/mol
SMILES C1(=C(OC=CC1=O)C)OC(=O)C
SPLASH splash10-004i-4900000000-263c8ee637e772d9da33
Source of Spectrum CJ-1992-0-0
Wiley ID 1164118