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6, 7-Diphenyl-1, 3a, 4, 7a-tetrahydroisobenzofuran-5(3H)-one
SpectraBase Compound ID 6OoHcawaR1V
InChI InChI=1S/C20H18O2/c21-18-11-16-12-22-13-17(16)19(14-7-3-1-4-8-14)20(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChIKey CYYLQKPBPHCFOB-IRXDYDNUSA-N
Mol Weight 290.36 g/mol
Molecular Formula C20H18O2
Exact Mass 290.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BdUkIatEaF
Name 6, 7-Diphenyl-1, 3a, 4, 7a-tetrahydroisobenzofuran-5(3H)-one
Alternate Name(s) (3aR,7aS)-6,7-diphenyl-1,3a,4,7a-tetrahydroisobenzofuran-5(3H)-one
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Formula C20H18O2
InChI InChI=1S/C20H18O2/c21-18-11-16-12-22-13-17(16)19(14-7-3-1-4-8-14)20(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChIKey CYYLQKPBPHCFOB-IRXDYDNUSA-N
Literature Reference DOI 10.1021/ol101091r
Molecular Weight 290.362 g/mol
SMILES C=1(c2ccccc2)[C@@]2([C@@](CC(C1c1ccccc1)=O)(COC2)[H])[H]
SPLASH splash10-0006-0390000000-cd94ccfcb3bace1a412d
Source of Spectrum A1-12-3082/SMS9-2b
Wiley ID 1752348