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N-BENZYL-N-(1-PHENYL-3-Z,5-E-HEPTADIEN-2-YL)-B-[2-(PHENYLSULFONYL)-2-PROPEN-1-YL]-AMINE
SpectraBase Compound ID GcCmvb5i7st
InChI InChI=1S/C29H31NO2S/c1-3-4-8-19-28(22-26-15-9-5-10-16-26)30(24-27-17-11-6-12-18-27)23-25(2)33(31,32)29-20-13-7-14-21-29/h3-21,28H,2,22-24H2,1H3/b4-3+,19-8-/t28-/m0/s1
InChIKey OVPKSXKSOQOYLL-JAAZWNJFSA-N
Mol Weight 457.63 g/mol
Molecular Formula C29H31NO2S
Exact Mass 457.20755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5v7Xw7uyYl5
Name N-BENZYL-N-(1-PHENYL-3-Z,5-E-HEPTADIEN-2-YL)-B-[2-(PHENYLSULFONYL)-2-PROPEN-1-YL]-AMINE
Compound Number (3-Z,5-E )-14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31NO2S
InChI InChI=1S/C29H31NO2S/c1-3-4-8-19-28(22-26-15-9-5-10-16-26)30(24-27-17-11-6-12-18-27)23-25(2)33(31,32)29-20-13-7-14-21-29/h3-21,28H,2,22-24H2,1H3/b4-3+,19-8-/t28-/m0/s1
InChIKey OVPKSXKSOQOYLL-JAAZWNJFSA-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 457.631 g/mol
Sample ID 26006
Solvent CDCl3