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(1S,3S)-6,7,8-TRIMETHOXY-3-METHYL-1-(2-CHLORO-5-NITROPHENYL)-ISOCHROMAN
SpectraBase Compound ID C3A8nLOakhu
InChI InChI=1S/C19H20ClNO6/c1-10-7-11-8-15(24-2)18(25-3)19(26-4)16(11)17(27-10)13-9-12(21(22)23)5-6-14(13)20/h5-6,8-10,17H,7H2,1-4H3/t10-,17+/m0/s1
InChIKey NJOOTMMJVKZUQD-DYZYQPBXSA-N
Mol Weight 393.82 g/mol
Molecular Formula C19H20ClNO6
Exact Mass 393.097915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvCwxYojVhD
Name (1S,3S)-6,7,8-TRIMETHOXY-3-METHYL-1-(2-CHLORO-5-NITROPHENYL)-ISOCHROMAN
Compound Number 3N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20ClNO6
InChI InChI=1S/C19H20ClNO6/c1-10-7-11-8-15(24-2)18(25-3)19(26-4)16(11)17(27-10)13-9-12(21(22)23)5-6-14(13)20/h5-6,8-10,17H,7H2,1-4H3/t10-,17+/m0/s1
InChIKey NJOOTMMJVKZUQD-DYZYQPBXSA-N
Literature Reference Author R.C.SIMON,E.BUSTO,N.RICHTER,F.BELAJ,W.KROUTIL
Literature Reference Citation EUR.J.ORG.CHEM.,2014,111(2014)
Literature Reference DOI 10.1002/ejoc.201301429
Molecular Weight 393.824 g/mol
Solvent CDCl3
Source File Reference UWIR18136