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(1'R,3aR,7aS)-2,2-dimethyl-2'-methylene-7,7a-dihydro-3aH-spiro[benzo[d][1,3]dioxole-4,1'-cyclohexan]-3'-one
SpectraBase Compound ID 28mYVFoZ8Yu
InChI InChI=1S/C15H20O3/c1-10-11(16)6-4-8-15(10)9-5-7-12-13(15)18-14(2,3)17-12/h5,9,12-13H,1,4,6-8H2,2-3H3/t12-,13-,15+/m0/s1
InChIKey KXKZQTUWTOOXFE-KCQAQPDRSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OIeWCSBuAW
Name (1'R,3aR,7aS)-2,2-dimethyl-2'-methylene-7,7a-dihydro-3aH-spiro[benzo[d][1,3]dioxole-4,1'-cyclohexan]-3'-one
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Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-10-11(16)6-4-8-15(10)9-5-7-12-13(15)18-14(2,3)17-12/h5,9,12-13H,1,4,6-8H2,2-3H3/t12-,13-,15+/m0/s1
InChIKey KXKZQTUWTOOXFE-KCQAQPDRSA-N
Literature Reference DOI 10.1021/jo400952u
Molecular Weight 248.322 g/mol
SMILES [C@@]12(C=CC[C@]3([C@@]2(OC(C)(O3)C)[H])[H])C(C(CCC1)=O)=C
SPLASH splash10-0006-2900000000-e231aa91162ba378ef3f
Source of Spectrum J-78-7106-18
Synonyms (3aS,7R,7aR)-2,2-dimethyl-2'-methylene-1'-spiro[4,7a-dihydro-3aH-1,3-benzodioxole-7,3'-cyclohexane]one (3aS,7R,7aR)-2,2-dimethyl-2'-methylidenespiro[4,7a-dihydro-3aH-1,3-benzodioxole-7,3'-cyclohexane]-1'-one (3aS,7R,7aR)-2,2-dimethyl-2'-methylidene-spiro[4,7a-dihydro-3aH-1,3-benzodioxole-7,3'-cyclohexane]-1'-one
Wiley ID 1745604