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7-acetyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SpectraBase Compound ID 3jn2LkDndgy
InChI InChI=1S/C10H12O3/c1-6(11)7-2-3-9(12)8-4-5-13-10(7)8/h7H,2-5H2,1H3
InChIKey GLVSYJZAGUCPQF-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cCdqnJFVIo
Name 7-acetyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
Alternate Name(s) 7-acetyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one 7-ethanoyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-6(11)7-2-3-9(12)8-4-5-13-10(7)8/h7H,2-5H2,1H3
InChIKey GLVSYJZAGUCPQF-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES C1OC2=C(C1)C(CCC2C(=O)C)=O
SPLASH splash10-000i-0900000000-996d5866de2c5d010983
Source of Spectrum J-66-1400-29
Wiley ID 1534602