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(1R,4R,5S)-4-Methyl-2,9-dioxa-bicyclo(3.3.1)nonan-7-one
SpectraBase Compound ID Gex4C719q80
InChI InChI=1S/C8H12O3/c1-5-4-10-8-3-6(9)2-7(5)11-8/h5,7-8H,2-4H2,1H3/t5-,7-,8+/m1/s1
InChIKey DXUVEDKKCVVSCC-NJUXHZRNSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9R8y179OQmg
Name (1R,4S,5S)-4-Methyl-2,9-dioxa-bicyclo(3.3.1)nonan-7-one
CAS Registry Number 91860-93-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-5-4-10-8-3-6(9)2-7(5)11-8/h5,7-8H,2-4H2,1H3/t5-,7-,8+/m1/s1
InChIKey DXUVEDKKCVVSCC-NJUXHZRNSA-N
Instrument Name Jeol FX-90
Literature Reference S.J. Danishefsky, W.H. Pearson, D. Harvey, J. Am. Chem. Soc. 107, 1256 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3