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5,5,5-TRIFLUORO-4-(4-METHYLBENZENSULFONYL)-1-PENTENE

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5,5,5-TRIFLUORO-4-(4-METHYLBENZENSULFONYL)-1-PENTENE
SpectraBase Compound ID H7y5omGhxpd
InChI InChI=1S/C12H13F3O2S/c1-3-4-11(12(13,14)15)18(16,17)10-7-5-9(2)6-8-10/h3,5-8,11H,1,4H2,2H3
InChIKey DMTJKDOCBYHVOK-UHFFFAOYSA-N
Mol Weight 278.29 g/mol
Molecular Formula C12H13F3O2S
Exact Mass 278.058835 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33pFk6qrfu6
Name 5,5,5-TRIFLUORO-4-(4-METHYLBENZENSULFONYL)-1-PENTENE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3O2S
InChI InChI=1S/C12H13F3O2S/c1-3-4-11(12(13,14)15)18(16,17)10-7-5-9(2)6-8-10/h3,5-8,11H,1,4H2,2H3
InChIKey DMTJKDOCBYHVOK-UHFFFAOYSA-N
Literature Reference Author M.KATO,K.MAEDA,K.SATO,M.OMOTE,A.ANDO,I.KUMADAKI
Literature Reference Citation CHEM.PHARM.BULL.,48,683(2000)
Literature Reference DOI 10.1248/cpb.48.683
Solvent CDCl3
Source File Reference UWLU5131