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(3R,4S,4AR)-4,8-DIHYDROXY-3-METHYL-3,4,4A,5-TETRAHYDRO-1H-2-BENZOPYRAN-1-ONE
SpectraBase Compound ID G3jnUEsdYMu
InChI InChI=1S/C10H12O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2,4-6,9,11-12H,3H2,1H3/t5-,6-,9-/m1/s1
InChIKey UWSQDVQKLXZPMB-HCVRKRLWSA-N
Mol Weight 196.2 g/mol
Molecular Formula C10H12O4
Exact Mass 196.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42PKWJMZcKc
Name (3R,4S,4AR)-4,8-DIHYDROXY-3-METHYL-3,4,4A,5-TETRAHYDRO-1H-2-BENZOPYRAN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O4
InChI InChI=1S/C10H12O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2,4-6,9,11-12H,3H2,1H3/t5-,6-,9-/m1/s1
InChIKey UWSQDVQKLXZPMB-HCVRKRLWSA-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 196.203 g/mol
Solvent CDCl3
Source File Reference UWCS22673