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(E)-3-(p-Methoxyphenyl)-1-(6'-(p'-methoxyphenyl)-1'-tosyl-1',2',5',6'-tetrahydropyridin-3'-yl)-prop-2-en-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-3-(p-Methoxyphenyl)-1-(6'-(p'-methoxyphenyl)-1'-tosyl-1',2',5',6'-tetrahydropyridin-3'-yl)-prop-2-en-1-one
SpectraBase Compound ID JntXdYT2BXe
InChI InChI=1S/C29H29NO5S/c1-21-4-16-27(17-5-21)36(32,33)30-20-24(11-18-28(30)23-9-14-26(35-3)15-10-23)29(31)19-8-22-6-12-25(34-2)13-7-22/h4-17,19,28H,18,20H2,1-3H3/b19-8+
InChIKey KOCCKINEURMDQD-UFWORHAWSA-N
Mol Weight 503.61 g/mol
Molecular Formula C29H29NO5S
Exact Mass 503.176644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4B6f8gYJWAa
Name (E)-3-(p-Methoxyphenyl)-1-(6'-(p'-methoxyphenyl)-1'-tosyl-1',2',5',6'-tetrahydropyridin-3'-yl)-prop-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.176644207 u
Formula C29H29NO5S
InChI InChI=1S/C29H29NO5S/c1-21-4-16-27(17-5-21)36(32,33)30-20-24(11-18-28(30)23-9-14-26(35-3)15-10-23)29(31)19-8-22-6-12-25(34-2)13-7-22/h4-17,19,28H,18,20H2,1-3H3/b19-8+
InChIKey KOCCKINEURMDQD-UFWORHAWSA-N
Molecular Weight 503.613 g/mol
SMILES C1N(S(C2=CC=C(C)C=C2)(=O)=O)C(CC=C1C(\C=C\C=1C=CC(OC)=CC1)=O)C=1C=CC(OC)=CC1