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4-METHOXY-3,3-DIMETHYL-7-(1',3',3'-TRIMETHYL-2'-OXOCYClOHEXAN-1'-YL)-ISOBENZOFURAN-1(3H)-ONE
SpectraBase Compound ID A1gFhuXaWCh
InChI InChI=1S/C20H26O4/c1-18(2)10-7-11-20(5,17(18)22)12-8-9-13(23-6)15-14(12)16(21)24-19(15,3)4/h8-9H,7,10-11H2,1-6H3/t20-/m1/s1
InChIKey WHSZCXTUUQSREZ-HXUWFJFHSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oR2lb4DPaI
Name 4-Methoxy-3,3-dimethyl-7-(R)-(1',3',3'-trimethyl-2'-oxocyclohexan-1'-yl)isobenzofuran-1(3H)-one
Alternate Name(s) 4-Methoxy-3,3-dimethyl-7-(R)-(1,3,3-trimethyl-2-oxocyclohexan-1-yl)isobenzofuran-1(3H)-one 4-Methoxy-3,3-dimethyl-7-(1',3',3'-trimethyl-2'-oxocyclohexan-1'-yl)isobenzofuran-1(3H)-one 4-Methoxy-3,3-dimethyl-7-[(1R)-1,3,3-trimethyl-2-oxocyclohexyl]-2-benzofuran-1(3H)-one
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Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-18(2)10-7-11-20(5,17(18)22)12-8-9-13(23-6)15-14(12)16(21)24-19(15,3)4/h8-9H,7,10-11H2,1-6H3/t20-/m1/s1
InChIKey WHSZCXTUUQSREZ-HXUWFJFHSA-N
Molecular Weight 330.424 g/mol
SMILES c12C(OC(c2c(ccc1[C@@]1(C(C(C)(C)CCC1)=O)C)OC)(C)C)=O
SPLASH splash10-0a4i-0091000000-33cf480a1efc79b54441
Source of Spectrum B-51-608-16
Wiley ID 745792