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3-Isobutyl-4,5-dimethyl-3H-isobenzofuran-1-one
SpectraBase Compound ID F9LDSg0ZLF3
InChI InChI=1S/C14H18O2/c1-8(2)7-12-13-10(4)9(3)5-6-11(13)14(15)16-12/h5-6,8,12H,7H2,1-4H3
InChIKey IBYSJZPIEUIIRZ-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Xziu7wGHmX
Name 3-Isobutyl-4,5-dimethyl-3H-isobenzofuran-1-one
Alternate Name(s) 3-Isobutyl-4,5-dimethyl-2-benzofuran-1(3H)-one 3-isobutyl-4,5-dimethyl-phthalide 4,5-Dimethyl-3-(2-methylpropyl)-3H-2-benzofuran-1-one 4,5-Dimethyl-3-(2-methylpropyl)-3H-isobenzofuran-1-one
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Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-8(2)7-12-13-10(4)9(3)5-6-11(13)14(15)16-12/h5-6,8,12H,7H2,1-4H3
InChIKey IBYSJZPIEUIIRZ-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C1(OC(CC(C)C)c2c1ccc(C)c2C)=O
SPLASH splash10-03di-2900000000-eaa47d67f04a768ffdc9
Source of Spectrum CM-1999-20469-0
Wiley ID 482823