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Dimer of ethyl 2-cyano-3-(4-[3-butoxy-3-oxo-(E)-propenyl]-phenyl)-(E)-propenoate
SpectraBase Compound ID FmNtRpf9QBY
InChI InChI=1S/C38H42N2O8/c1-7-24(5)47-31(41)20-15-26-11-16-28(17-12-26)33-32(36(43)48-25(6)8-2)34(38(33,23-40)37(44)46-10-4)29-18-13-27(14-19-29)21-30(22-39)35(42)45-9-3/h11-21,24-25,32-34H,7-10H2,1-6H3/b20-15+,30-21+
InChIKey IWFAWGKCCAEJEV-GZDQGRAASA-N
Mol Weight 654.8 g/mol
Molecular Formula C38H42N2O8
Exact Mass 654.294116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1p4Gep5ni36
Name Dimer of ethyl 2-cyano-3-(4-[3-butoxy-3-oxo-(E)-propenyl]-phenyl)-(E)-propenoate
CAS Registry Number 81445-52-5
Comments DIMER OF S-COMPOUND
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C38H42N2O8
InChI InChI=1S/C38H42N2O8/c1-7-24(5)47-31(41)20-15-26-11-16-28(17-12-26)33-32(36(43)48-25(6)8-2)34(38(33,23-40)37(44)46-10-4)29-18-13-27(14-19-29)21-30(22-39)35(42)45-9-3/h11-21,24-25,32-34H,7-10H2,1-6H3/b20-15+,30-21+
InChIKey IWFAWGKCCAEJEV-GZDQGRAASA-N
Instrument Name Bruker HX-270
Literature Reference L. Addadi, M. Lahav, J. Am. Chem. Soc. 100, 2838 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3