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N-BENZYL-N-[(2-S)-1-PHENYL-3-Z,5-HEXADIEN-2-YL]-N-[2-(PHENYLSULFONYL)-2-PROPEN-1-YL]-AMINE
SpectraBase Compound ID LTEulwwG3Mh
InChI InChI=1S/C28H29NO2S/c1-3-4-18-27(21-25-14-8-5-9-15-25)29(23-26-16-10-6-11-17-26)22-24(2)32(30,31)28-19-12-7-13-20-28/h3-20,27H,1-2,21-23H2/b18-4-/t27-/m0/s1
InChIKey QJONAXGUGKDTAG-ULFUGCGMSA-N
Mol Weight 443.61 g/mol
Molecular Formula C28H29NO2S
Exact Mass 443.1919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVTPOr73I37
Name N-BENZYL-N-[(2-S)-1-PHENYL-3-Z,5-HEXADIEN-2-YL]-N-[2-(PHENYLSULFONYL)-2-PROPEN-1-YL]-AMINE
Compound Number Z-21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29NO2S
InChI InChI=1S/C28H29NO2S/c1-3-4-18-27(21-25-14-8-5-9-15-25)29(23-26-16-10-6-11-17-26)22-24(2)32(30,31)28-19-12-7-13-20-28/h3-20,27H,1-2,21-23H2/b18-4-/t27-/m0/s1
InChIKey QJONAXGUGKDTAG-ULFUGCGMSA-N
Literature Reference Author H.TAKEUCHI,T.FUJIMOTO,K.HOSHINO,J.MOTOYOSHIYA,A.KAKEHI,I.YAM AMOTO
Literature Reference Citation J.ORG.CHEM.,63,7172(1998)
Literature Reference DOI 10.1021/jo980181b
Molecular Weight 443.604 g/mol
Sample ID 26012
Solvent CDCl3