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REL-(1R,3R,4S)-5-CHLORO-4-HYDROXY-8-METHOXY-1,3-DIMETHYLISOCHROMANE
SpectraBase Compound ID 3qEYCr6Raaz
InChI InChI=1S/C12H15ClO3/c1-6-10-9(15-3)5-4-8(13)11(10)12(14)7(2)16-6/h4-7,12,14H,1-3H3/t6-,7-,12-/m1/s1
InChIKey KZEYXYVYTCSQRC-NQYJQULFSA-N
Mol Weight 242.7 g/mol
Molecular Formula C12H15ClO3
Exact Mass 242.070972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwXB8Sl5BTn
Name REL-(1R,3R,4S)-5-CHLORO-4-HYDROXY-8-METHOXY-1,3-DIMETHYLISOCHROMANE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15ClO3
InChI InChI=1S/C12H15ClO3/c1-6-10-9(15-3)5-4-8(13)11(10)12(14)7(2)16-6/h4-7,12,14H,1-3H3/t6-,7-,12-/m1/s1
InChIKey KZEYXYVYTCSQRC-NQYJQULFSA-N
Literature Reference Author R.G.F.GILES,R.W.RICKARDS,B.S.SENANAYAKE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3361(1997)
Literature Reference DOI 10.1039/a704543c
Molecular Weight 242.702 g/mol
Solvent CDCl3
Source File Reference UWRU8007