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3-(10,11-DIHYDRO-5H-DIBENZO-[B,F]-AZEPIN-5-YL)-N-METHYL-N-[(PENTAFLUOROETHYL)-SULFANYL]-PROPAN-1-AMINE
SpectraBase Compound ID 2EISowTGmMC
InChI InChI=1S/C20H21F5N2S/c1-26(28-20(24,25)19(21,22)23)13-6-14-27-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)27/h2-5,7-10H,6,11-14H2,1H3
InChIKey HSIOQMMRCFLUEQ-UHFFFAOYSA-N
Mol Weight 416.45 g/mol
Molecular Formula C20H21F5N2S
Exact Mass 416.134561 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTqMtJB0bKF
Name 3-(10,11-DIHYDRO-5H-DIBENZO-[B,F]-AZEPIN-5-YL)-N-METHYL-N-[(PENTAFLUOROETHYL)-SULFANYL]-PROPAN-1-AMINE
Compound Number 4L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21F5N2S
InChI InChI=1S/C20H21F5N2S/c1-26(28-20(24,25)19(21,22)23)13-6-14-27-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)27/h2-5,7-10H,6,11-14H2,1H3
InChIKey HSIOQMMRCFLUEQ-UHFFFAOYSA-N
Literature Reference Author S.ALAZET,K.OLLIVER,T.BILLARD
Literature Reference Citation BEIL.J.ORG.CHEM.,9,2354(2013)
Literature Reference DOI 10.3762/bjoc.9.270
Solvent CDCl3
Source File Reference UWLU77808