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(3R,4AS,8S,8AR)-8-HYDROXY-3-METHYL-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-2-BENZOPYRAN-1-ONE
SpectraBase Compound ID HAwAXmCUKys
InChI InChI=1S/C10H16O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-/m1/s1
InChIKey MXMDZXIALPKANE-RYPBNFRJSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIhC2918y2M
Name (3R,4AS,8S,8AR)-8-HYDROXY-3-METHYL-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-2-BENZOPYRAN-1-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-/m1/s1
InChIKey MXMDZXIALPKANE-RYPBNFRJSA-N
Literature Reference Author J.A.FINDLAY,S.BUTHELEZI,R.LAVOIE,L.PENA-RODRIGUEZ,J.D.MILLER
Literature Reference Citation J.NAT.PROD.,58,1759(1995)
Literature Reference DOI 10.1021/np50125a021
Molecular Weight 184.235 g/mol
Solvent CDCl3
Source File Reference UWCS22674