1-[2'-(Hydroxymethyl)-4-Methoxy-4'-Methyl-3,6'-Dioxo-3H-Spiro[1-Benzofuran-2,1'-Cyclohexa[2,4]Dien]-5-Yl]-3-Methylbutyl Acetate

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Properties Simple | Detailed

Formula C23H26O7
IUPAC Name [(1s)-1-[(2r)-1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methyl-butyl] acetate
Molecular Mass 414.448 g·mol−1
Heat of Formation -1074.6 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 494.76 Å 3
Surface Area 415.08 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey CQBZGPJDYMTTCO-JPYJTQIMSA-N
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