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4-Methyl-2-oxotetrahydro-2H-pyran-4-yl acetate (D2)
SpectraBase Compound ID DeJnwNW5Hy7
InChI InChI=1S/C8H12O4/c1-6(9)12-8(2)3-4-11-7(10)5-8/h3-5H2,1-2H3
InChIKey UISGYVLMJZLIIC-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsuaW7tI7XO
Name 4-Methyl-2-oxotetrahydro-2H-pyran-4-yl acetate (D2)
CAS Registry Number 83191-98-4
Comments Note: The molecular formula of the structure shown is C8H12O4 - which differs from the formula reported for the mass spectrum (C8H10D2O4)
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Formula C8H10D2O4
InChI InChI=1S/C8H12O4/c1-6(9)12-8(2)3-4-11-7(10)5-8/h3-5H2,1-2H3
InChIKey UISGYVLMJZLIIC-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES C1C(CC(OC1)=O)(C)OC(C)=O
SPLASH splash10-01q9-9100000000-18af5d4974cd4431e6f6
Synonyms (4-methyl-2-oxidanylidene-oxan-4-yl) ethanoate (D2) (4-methyl-2-oxo-tetrahydropyran-4-yl) acetate (D2) (4-methyl-2-oxooxan-4-yl) acetate (D2) Acetic acid (2-keto-4-methyl-tetrahydropyran-4-yl) ester (D2) Acetic acid (4-methyl-2-oxo-4-oxanyl) ester (D2) Acetic acid, 4-methyl-2-oxotetrahydropyran-4-yl ester (D2)
Wiley ID 1483954