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(1)-(1alpha,2alpha,5alpha)-2,6,6-trimethylbicyclo(3.1.1)heptan-3-one

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(1)-(1alpha,2alpha,5alpha)-2,6,6-trimethylbicyclo(3.1.1)heptan-3-one
SpectraBase Compound ID KKOrx0iTUqx
InChI InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
InChIKey MQPHVIPKLRXGDJ-UHFFFAOYSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zZgsr9IMUG
Name (1S,5R)-2(R),6,6-Trimethyl-bicyclo(3.1.1)heptan-3-one
CAS Registry Number 547-60-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
InChIKey MQPHVIPKLRXGDJ-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference D.A. Lightner, T.D. Bouman, B.V.Crist, J. Am. Chem. Soc. 109, 6248 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3