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(1S,3S)-1-(2-CHLORO-5-NITROPHENYL)-6,7-DIMETHOXY-3-METHYL-ISOCHROMAN
SpectraBase Compound ID CbGZqjXyCMC
InChI InChI=1S/C18H18ClNO5/c1-10-6-11-7-16(23-2)17(24-3)9-13(11)18(25-10)14-8-12(20(21)22)4-5-15(14)19/h4-5,7-10,18H,6H2,1-3H3/t10-,18-/m0/s1
InChIKey UBIWBYRKQQJZHD-YPMLDQLKSA-N
Mol Weight 363.8 g/mol
Molecular Formula C18H18ClNO5
Exact Mass 363.08735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpHcUH7bFJ0
Name (1S,3S)-1-(2-CHLORO-5-NITROPHENYL)-6,7-DIMETHOXY-3-METHYL-ISOCHROMAN
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18ClNO5
InChI InChI=1S/C18H18ClNO5/c1-10-6-11-7-16(23-2)17(24-3)9-13(11)18(25-10)14-8-12(20(21)22)4-5-15(14)19/h4-5,7-10,18H,6H2,1-3H3/t10-,18-/m0/s1
InChIKey UBIWBYRKQQJZHD-YPMLDQLKSA-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 363.798 g/mol
Solvent CDCl3
Source File Reference UWIR18132