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(1E,3E)-1-NITRO-2-(4-PHENYL-BUTA-1,3-DIEN-1-YL)-4-(PENTAFLUOROSULFANYL)-BENZENE;MAJOR-ISOMER
SpectraBase Compound ID 1nGSKo7tSqq
InChI InChI=1S/C16H12F5NO2S/c17-25(18,19,20,21)15-10-11-16(22(23)24)14(12-15)9-5-4-8-13-6-2-1-3-7-13/h1-12H/b8-4+,9-5+
InChIKey SQHDORWVMSVCAO-KBXRYBNXSA-N
Mol Weight 377.33 g/mol
Molecular Formula C16H12F5NO2S
Exact Mass 377.050891 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51IaHLD83zf
Name (1E,3E)-1-NITRO-2-(4-PHENYL-BUTA-1,3-DIEN-1-YL)-4-(PENTAFLUOROSULFANYL)-BENZENE;MAJOR-ISOMER
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12F5NO2S
InChI InChI=1S/C16H12F5NO2S/c17-25(18,19,20,21)15-10-11-16(22(23)24)14(12-15)9-5-4-8-13-6-2-1-3-7-13/h1-12H/b8-4+,9-5+
InChIKey SQHDORWVMSVCAO-KBXRYBNXSA-N
Literature Reference Author G.IAKOBSON,P.BEIER
Literature Reference Citation BEIL.J.ORG.CHEM.,8,1185(2012)
Literature Reference DOI 10.3762/bjoc.8.131
Solvent CDCl3
Source File Reference UWIR10959