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[S-(S*,R*,S*)]-3-METHYL-4-[3,6-DIHYDRO-3-OXO-2H-PYRAN-2-YL]-2-BUTANONE,ISOMER-#1
SpectraBase Compound ID zdQE7Vxr0f
InChI InChI=1S/C10H14O3/c1-7(8(2)11)6-10-9(12)4-3-5-13-10/h3-4,7,10H,5-6H2,1-2H3/t7?,10-/m1/s1
InChIKey XPRJSJOZQGSELE-OMNKOJBGSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RzQGpKv18C
Name [S-(S*,R*,S*)]-3-METHYL-4-[3,6-DIHYDRO-3-OXO-2H-PYRAN-2-YL]-2-BUTANONE,ISOMER-#1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-7(8(2)11)6-10-9(12)4-3-5-13-10/h3-4,7,10H,5-6H2,1-2H3/t7?,10-/m1/s1
InChIKey XPRJSJOZQGSELE-OMNKOJBGSA-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 182.219 g/mol
Solvent CDCl3
Source File Reference UWCS1699