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4-[4'-(TRIFLUOROMETHYL)-PHENYL]-6-IODO-7-METHYLCHROMANE
SpectraBase Compound ID 38lWf2RWuqS
InChI InChI=1S/C17H14F3IO/c1-10-8-16-14(9-15(10)21)13(6-7-22-16)11-2-4-12(5-3-11)17(18,19)20/h2-5,8-9,13H,6-7H2,1H3
InChIKey SJDHGXJNLAAXBG-UHFFFAOYSA-N
Mol Weight 418.2 g/mol
Molecular Formula C17H14F3IO
Exact Mass 418.004145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKqUghgiRSp
Name 4-[4'-(TRIFLUOROMETHYL)-PHENYL]-6-IODO-7-METHYLCHROMANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14F3IO
InChI InChI=1S/C17H14F3IO/c1-10-8-16-14(9-15(10)21)13(6-7-22-16)11-2-4-12(5-3-11)17(18,19)20/h2-5,8-9,13H,6-7H2,1H3
InChIKey SJDHGXJNLAAXBG-UHFFFAOYSA-N
Literature Reference Author H.TOGO,Y.HOSHINA,T.MURAKI,H.NAKAYAMA,M.YOKOYAMA
Literature Reference Citation J.ORG.CHEM.,63,5193(1998)
Literature Reference DOI 10.1021/jo980450y
Molecular Weight 418.197 g/mol
Sample ID 28546
Solvent CDCl3