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3,3-Diethyl-3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one
SpectraBase Compound ID 6KemZ2CPq7t
InChI InChI=1S/C12H18O2/c1-3-12(4-2)10-8-6-5-7-9(10)11(13)14-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey XKUBKJYOBYGAKE-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArYgdGeOnjp
Name 3,3-Diethyl-3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one
Alternate Name(s) 3,3-Diethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one 3,3-Diethyl-3a,4,7,7a-tetrahydro-3H-sobenzofuran-1-one
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Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-3-12(4-2)10-8-6-5-7-9(10)11(13)14-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey XKUBKJYOBYGAKE-UHFFFAOYSA-N
Molecular Weight 194.274 g/mol
SMILES C1(OC(CC)(CC)C2C1CC=CC2)=O
SPLASH splash10-0159-3900000000-922480b11d391fbca64b
Source of Spectrum U1-1998-2435-0
Wiley ID 752000