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[2R-(2-ALPHA-(R*,S*),6-BETA)]-4-(6-[(ACETYLOXY)-METHYL]-3,6-DIHYDRO-3-OXO-2H-PYRAN-2-YL)-3-METHYL-2-BUTANONE,ISOMER-#1
SpectraBase Compound ID IDiJa0MSnWb
InChI InChI=1S/C13H18O5/c1-8(9(2)14)6-13-12(16)5-4-11(18-13)7-17-10(3)15/h4-5,8,11,13H,6-7H2,1-3H3/t8?,11-,13+/m1/s1
InChIKey NHPXLXWJBXPISJ-KQBUEYNVSA-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 2fCUNqx5paP
Name [2R-(2-ALPHA-(R*,S*),6-BETA)]-4-(6-[(ACETYLOXY)-METHYL]-3,6-DIHYDRO-3-OXO-2H-PYRAN-2-YL)-3-METHYL-2-BUTANONE,ISOMER-#2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-8(9(2)14)6-13-12(16)5-4-11(18-13)7-17-10(3)15/h4-5,8,11,13H,6-7H2,1-3H3/t8?,11-,13+/m1/s1
InChIKey NHPXLXWJBXPISJ-KQBUEYNVSA-N
Literature Reference Author J.HERSCOVICI,L.BOUMAIZA,K.ANTONAKIS
Literature Reference Citation J.ORG.CHEM.,57,2476(1992)
Literature Reference DOI 10.1021/jo00034a051
Molecular Weight 254.283 g/mol
Solvent CDCl3
Source File Reference UWCS1695