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(1R,4R,5S)-4-Ethyl-2,9-dioxa-bicyclo(3.3.1)nonan-7-one
SpectraBase Compound ID 2xEkncByB6O
InChI InChI=1S/C9H14O3/c1-2-6-5-11-9-4-7(10)3-8(6)12-9/h6,8-9H,2-5H2,1H3/t6-,8-,9+/m1/s1
InChIKey KVTDOOCWWXLMJS-VDAHYXPESA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XcmfM5eVI7
Name (1R,4R,5S)-4-Ethyl-2,9-dioxa-bicyclo(3.3.1)nonan-7-one
CAS Registry Number 91860-94-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-2-6-5-11-9-4-7(10)3-8(6)12-9/h6,8-9H,2-5H2,1H3/t6-,8-,9+/m1/s1
InChIKey KVTDOOCWWXLMJS-VDAHYXPESA-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