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Bicyclo[3.1.1]heptan-2-one, 3-(acetyloxy)-6,6-dimethyl-, (1.alpha.,3.alpha.,5.alpha.)-
SpectraBase Compound ID LNlNQOLShlP
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-HRDYMLBCSA-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 7BdVDXYYL2p
Name Bicyclo[3.1.1]heptan-2-one, 3-(acetyloxy)-6,6-dimethyl-, (1.alpha.,3.alpha.,5.alpha.)-
Alternate Name(s) (1R,3R,5R)-6,6-dimethyl-2-oxobicyclo[3.1.1]hept-3-yl acetate cis-3-acetoxy-6,6-dimethylbicyclo(3.1.1)heptan-2-one
CAS Registry Number 57128-13-9
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-HRDYMLBCSA-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 splash10-0536-9100000000-51a1e628ac45a909536c
Source of Spectrum I-53-746-0
Wiley ID 1193118