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(6R,7R,8R)-8-CHLOROGONIODIOL;6R-(7R-HYDROXY-8R-CHLORO-8-PHENYL)-5,6-DIHYDRO-2-PYRONE
SpectraBase Compound ID IgPqPTURXDJ
InChI InChI=1S/C13H13ClO3/c14-12(9-5-2-1-3-6-9)13(16)10-7-4-8-11(15)17-10/h1-6,8,10,12-13,16H,7H2/t10-,12+,13-/m1/s1
InChIKey MSNHEIXAOKHXKK-KGYLQXTDSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5w9W7PCcZs
Name (6R,7R,8R)-8-CHLOROGONIODIOL;6R-(7R-HYDROXY-8R-CHLORO-8-PHENYL)-5,6-DIHYDRO-2-PYRONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c14-12(9-5-2-1-3-6-9)13(16)10-7-4-8-11(15)17-10/h1-6,8,10,12-13,16H,7H2/t10-,12+,13-/m1/s1
InChIKey MSNHEIXAOKHXKK-KGYLQXTDSA-N
Literature Reference Author Y.H.LAN,F.R.CHANG,J.H.YU,Y.L.YANG,Y.L.CHANG,S.J.LEE,Y.C.WU
Literature Reference Citation J.NAT.PROD.,66,487(2003)
Literature Reference DOI 10.1021/np020441r
Molecular Weight 252.697 g/mol
Solvent CDCl3
Source File Reference UWSI7584