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3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione
SpectraBase Compound ID GEQsy8KKI7
InChI InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
InChIKey PGRHXDWITVMQBC-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 46atwrxbhec
Name Dehydracetic acid
CAS Registry Number 520-45-6
Classification Fungicide
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 168.042258734 u
Formula C8H8O4
InChI InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
InChIKey PGRHXDWITVMQBC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 168.148 g/mol
Nominal Mass 168 u
Quality 992
Retention Index 1201
SMILES C1(C(C(OC(=C1)C)=O)C(=O)C)=O
SPLASH splash10-00ko-9400000000-790a2a7f86f34f6926ca
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Dehydroacetic acid 3-Acetyl-6-methyl-2,4-pyrandione
Technique GC/MS
Wiley ID DD2024_000046