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(1S,3S)-1-(2-CHLORO-5-NITROPHENYL)-6-METHOXY-3-METHYL-ISOCHROMAN
SpectraBase Compound ID 2kvBxbeHViX
InChI InChI=1S/C17H16ClNO4/c1-10-7-11-8-13(22-2)4-5-14(11)17(23-10)15-9-12(19(20)21)3-6-16(15)18/h3-6,8-10,17H,7H2,1-2H3/t10-,17-/m0/s1
InChIKey UDISHSFENXDICJ-BTDLBPIBSA-N
Mol Weight 333.77 g/mol
Molecular Formula C17H16ClNO4
Exact Mass 333.076786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbhiN6JnAth
Name (1S,3S)-1-(2-CHLORO-5-NITROPHENYL)-6-METHOXY-3-METHYL-ISOCHROMAN
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16ClNO4
InChI InChI=1S/C17H16ClNO4/c1-10-7-11-8-13(22-2)4-5-14(11)17(23-10)15-9-12(19(20)21)3-6-16(15)18/h3-6,8-10,17H,7H2,1-2H3/t10-,17-/m0/s1
InChIKey UDISHSFENXDICJ-BTDLBPIBSA-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 333.771 g/mol
Solvent CDCl3
Source File Reference UWIR18124