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1,4-PENTALENEDIOL, OCTAHYDRO-, DIACETATE, (1alpha,3Aalpha,4alpha,6Aalpha)-

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1,4-PENTALENEDIOL, OCTAHYDRO-, DIACETATE, (1alpha,3Aalpha,4alpha,6Aalpha)-
SpectraBase Compound ID IhBuhU0JDUT
InChI InChI=1S/C12H18O4/c1-7(13)15-11-5-3-10-9(11)4-6-12(10)16-8(2)14/h9-12H,3-6H2,1-2H3
InChIKey HYVIARUUVHVLHF-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbNiOTEqVWy
Name 2-endo-6-endo-Diacetoxy-cis-bicyclo(3.3.0)octane
CAS Registry Number 52993-36-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7(13)15-11-5-3-10-9(11)4-6-12(10)16-8(2)14/h9-12H,3-6H2,1-2H3
InChIKey HYVIARUUVHVLHF-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference J.K. Whitesell, R.S. Matthews, J. Org. Chem. 42, 3878 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3