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Bicyclo[3.1.1]heptan-2-one, 3-(acetyloxy)-6,6-dimethyl-, (1.alpha.,3.beta.,5.alpha.)-
SpectraBase Compound ID 5vl57Yce2jC
InChI InChI=1S/C11H16O3/c1-6(12)14-9-5-7-4-8(10(9)13)11(7,2)3/h7-9H,4-5H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey NQMLPYOBZIPVIE-VGMNWLOBSA-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 6RrqCo4jjrR
Name Bicyclo[3.1.1]heptan-2-one, 3-(acetyloxy)-6,6-dimethyl-, (1.alpha.,3.beta.,5.alpha.)-
Alternate Name(s) (1R,3S,5R)-6,6-dimethyl-2-oxobicyclo[3.1.1]hept-3-yl acetate trans-3-acetoxy-6,6-dimethyl bicyclo(3.1.1)heptan-2-one
CAS Registry Number 57128-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-6(12)14-9-5-7-4-8(10(9)13)11(7,2)3/h7-9H,4-5H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey NQMLPYOBZIPVIE-VGMNWLOBSA-N
Molecular Weight 196.246 g/mol
SMILES [C@]12(C(C)(C)[C@](C2)(C[C@@](C1=O)(OC(=O)C)[H])[H])[H]
SPLASH splash10-000x-9200000000-5a5477d0253b76a09e2b
Source of Spectrum I-53-746-0
Wiley ID 1193119