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(E)-5-(N-Benzyl-4-toluenesulfonamido)-3-methyl-6-phenyl-hex-3-en-2-one
SpectraBase Compound ID KiavPC4ED4F
InChI InChI=1S/C27H29NO3S/c1-21-14-16-27(17-15-21)32(30,31)28(20-25-12-8-5-9-13-25)26(18-22(2)23(3)29)19-24-10-6-4-7-11-24/h4-18,26H,19-20H2,1-3H3/b22-18+
InChIKey BHSOFPHGTAWMFS-RELWKKBWSA-N
Mol Weight 447.59 g/mol
Molecular Formula C27H29NO3S
Exact Mass 447.186815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID izr2BRJdBF
Name (E)-5-(N-Benzyl-4-toluenesulfonamido)-3-methyl-6-phenyl-hex-3-en-2-one
CAS Registry Number 82495-72-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H29NO3S
InChI InChI=1S/C27H29NO3S/c1-21-14-16-27(17-15-21)32(30,31)28(20-25-12-8-5-9-13-25)26(18-22(2)23(3)29)19-24-10-6-4-7-11-24/h4-18,26H,19-20H2,1-3H3/b22-18+
InChIKey BHSOFPHGTAWMFS-RELWKKBWSA-N
Instrument Name Varian XL-200
Literature Reference S.G. Pyne, M.J. Hensel, P.L.Fuchs, J. Am. Chem. Soc. 104, 5719 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3