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1-((3aR,8aR,8bR)-2,2-Dimethyl-3a,8,8a,8b-tetrahydro-benzo[4,5]furo[2,3-d][1,3]dioxol-7-yl)-ethanone
SpectraBase Compound ID 1YaNa6gKtJW
InChI InChI=1S/C13H16O4/c1-7(14)8-4-5-10-9(6-8)11-12(15-10)17-13(2,3)16-11/h4-5,9,11-12H,6H2,1-3H3/t9-,11+,12+/m0/s1
InChIKey HKDKOGRTKSGLCM-MVWJERBFSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InQIQC8wiTg
Name 1-((3aR,8aR,8bR)-2,2-Dimethyl-3a,8,8a,8b-tetrahydro-benzo[4,5]furo[2,3-d][1,3]dioxol-7-yl)-ethanone
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7(14)8-4-5-10-9(6-8)11-12(15-10)17-13(2,3)16-11/h4-5,9,11-12H,6H2,1-3H3/t9-,11+,12+/m0/s1
InChIKey HKDKOGRTKSGLCM-MVWJERBFSA-N
Molecular Weight 236.267 g/mol
SMILES [C@@]12([C@@]([C@]3(CC(C(=O)C)=CC=C3O2)[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-0006-9720000000-b321adc29bd9f2a5a5c5
Source of Spectrum AC-134-722-13
Synonyms 1-(2',2'-Dimethyl-3'a,8',8'a,8'b-tetrahydro-1',3'-dioxolo[4,5-b]benzofuran-7'-yl)ethanone 1-[(3aR,8aR,8bR)-2,2-dimethyl-3a,8,8a,8b-tetrahydro[1,3]dioxolo[4,5-b][1]benzofuran-7-yl]ethanone
Wiley ID 812499