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2(1H)-PENTALENONE, 5,6-BIS(ACETYLOXY)HEXAHYDRO-1-METHYL-

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2(1H)-PENTALENONE, 5,6-BIS(ACETYLOXY)HEXAHYDRO-1-METHYL-
SpectraBase Compound ID GlJjQ8KPn3X
InChI InChI=1S/C13H18O5/c1-6-10(16)4-9-5-11(17-7(2)14)13(12(6)9)18-8(3)15/h6,9,11-13H,4-5H2,1-3H3
InChIKey NXXIJEQXUWEPAK-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QnY5eYGuHu
Name 2-exo-Methyl-7-endo, 8-endo-diacetoxy-cis-bicyclo(3.3.0)octanone-3
CAS Registry Number 63641-31-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-6-10(16)4-9-5-11(17-7(2)14)13(12(6)9)18-8(3)15/h6,9,11-13H,4-5H2,1-3H3
InChIKey NXXIJEQXUWEPAK-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