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Bicyclo[3.1.1]heptan-3-one, 2-(acetyloxy)-6,6-dimethyl-, (1.alpha.,2.alpha.,5.alpha.)-
SpectraBase Compound ID EIbUvOMp7CN
InChI InChI=1S/C11H16O3/c1-6(12)13-11-8-4-7(10(8,2)3)5-9(11)14-11/h7-9H,4-5H2,1-3H3/t7-,8-,9+,11-/m0/s1
InChIKey FAWJSGLLTLKIES-CKEKPRIKSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID X2h0ODrWqo
Name Bicyclo[3.1.1]heptan-3-one, 2-(acetyloxy)-6,6-dimethyl-, (1.alpha.,2.alpha.,5.alpha.)-
CAS Registry Number 57022-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-6(12)13-11-8-4-7(10(8,2)3)5-9(11)14-11/h7-9H,4-5H2,1-3H3/t7-,8-,9+,11-/m0/s1
InChIKey FAWJSGLLTLKIES-CKEKPRIKSA-N
Molecular Weight 196.246 g/mol
SMILES [C@@]12(O[C@@]2(C[C@@]2(C[C@]1(C2(C)C)[H])[H])[H])OC(=O)C
SPLASH splash10-053u-9200000000-bebd20a90401de7ac828
Source of Spectrum I-53-746-0
Synonyms (2R,4R)-7,7-dimethyl-3-oxatricyclo[4.1.1.0(2,4)]oct-2-yl acetate 2.beta.-acetoxy-6,6-dimethyl-2.alpha.,3.alpha.-epioxybicyclo(3.1.1)heptane
Wiley ID 1193117